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Molecule
4′-Fluoro[1,1′-Biphenyl]-4-Amine
CAS: 324-93-6 · C12H10FN
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 324-93-6
- Molecular Formula
- C12H10FN
- Molecular Mass
- 187.22 g/mol
Identifiers
CAS Registry Number
324-93-6
SMILES
Nc1ccc(-c2ccc(F)cc2)cc1
InChI Key
HTRVALPKPVGOSZ-UHFFFAOYSA-N
InChI
InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2
Names and Synonyms
- 4′-Fluoro[1,1′-Biphenyl]-4-Amine Systematic Name
- [1,1′-Biphenyl]-4-amine, 4′-fluoro- Synonym
- 4-Biphenylamine, 4′-fluoro- Synonym
- 4′-Fluoro[1,1′-biphenyl]-4-amine Synonym
- 4-(p-Fluorophenyl)aniline Synonym
- 4-(4-Fluorophenyl)aniline Synonym
- 4-Amino-4′-fluorobiphenyl Synonym
- 4′-Fluoro-4-aminobiphenyl Synonym
- 4′-Fluoro-p-phenylaniline Synonym
- 4′-Fluoro-4-biphenylamine Synonym
- NSC 88341 Synonym
- (4′-Fluorobiphenyl-4-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.22 g/mol | CAS Common Chemistry |
| 187.217 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC(=CC1)C2=CC=C(N)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10FN/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H,14H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HTRVALPKPVGOSZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 120 °C | CAS Common Chemistry |
| Name | 4′-Fluoro[1,1′-biphenyl]-4-amine | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 26.02 Ų | RDKit |
| LogP | 3.0749000000000013 | RDKit |
| 3.0749 | RDKit | |
| Molar Refractivity | 56.24840000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.07972754 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 187.22 g/mol. Edit any field — others recompute live.
