2,2,3,3,4,4,4-Heptafluorobutylamine

C₄H₄F₇NCAS 374-99-2199.07 g/mol

Open in Covalent MOL file

Alkyl halide Primary amine

Properties

Molecular formula: C₄H₄F₇N
Molar mass: 199.07 g/mol
Exact mass: 199.0232 Da
Density: 1.493 g/mL (at 20 °C)
Boiling point: 68 °C
logP: 1.78Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

374-99-2

SMILES

NCC(F)(F)C(F)(F)C(F)(F)F

InChIKey

WBGBQSRNXPVFDB-UHFFFAOYSA-N

InChI

InChI=1S/C4H4F7N/c5-2(6,1-12)3(7,8)4(9,10)11/h1,12H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names

1-Butanamine, 2,2,3,3,4,4,4-heptafluoro-
Butylamine, 2,2,3,3,4,4,4-heptafluoro-
2,2,3,3,4,4,4-Heptafluoro-1-butanamine
1H,1H-Heptafluorobutylamine

Work with 2,2,3,3,4,4,4-Heptafluorobutylamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3,3-Pentafluoropropylamine422-03-765 % similar 1,1,1,2,2,3,3-Heptafluoro-4-iodobutane374-98-150 % similar 2,2,3,3,4,4,4-Heptafluorobutanol375-01-950 % similar Perfluorobutane355-25-942 % similar Octafluoropropane76-19-742 % similar 1H,1H-Perfluorooctanol307-30-241 % similar 1H,1H-Perfluoroundecan-1-ol307-46-041 % similar 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-1-heptanol375-82-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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