tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate

C₈H₁₄FNO₂CAS 127199-16-0175.20 g/mol

Open in Covalent MOL file

Alkyl halide Carbamate

Properties

Molecular formula: C₈H₁₄FNO₂
Molar mass: 175.20 g/mol
Exact mass: 175.1009 Da
logP: 1.62Crippen estimate
Polar surface area: 38.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1
Stereocentres: R, Sin SMILES atom order

Identifiers

CAS number

127199-16-0

SMILES

CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1F

InChIKey

VWSDKMQGCVVQBV-NTSWFWBYSA-N

InChI

InChI=1S/C8H14FNO2/c1-8(2,3)12-7(11)10-6-4-5(6)9/h5-6H,4H2,1-3H3,(H,10,11)/t5-,6+/m0/s1

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Names and synonyms

1 names

Carbamic acid, (2-fluorocyclopropyl)-, 1,1-dimethylethyl ester, (1R-cis)- (9ci)

Work with tert-Butyl ((1R,2S)-2-fluorocyclopropyl)carbamate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

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

Elsewhere

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