benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate

C16H16FNO2 — CID 11346335

IUPACbenzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
SMILESO=C(N[C@H](F)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H16FNO2/c17-15(11-13-7-3-1-4-8-13)18-16(19)20-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)/t15-/m0/s1
InChIKeyKOHPTSHLCVGKBK-HNNXBMFYSA-N
MW273.31 g/mol
LogP3.45
Rot. Bonds5

About benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate

benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate (PubChem CID 11346335) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
PubChem CID11346335
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Namebenzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate
SMILESO=C(N[C@H](F)Cc1ccccc1)OCc1ccccc1
InChIInChI=1S/C16H16FNO2/c17-15(11-13-7-3-1-4-8-13)18-16(19)20-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)/t15-/m0/s1
InChIKeyKOHPTSHLCVGKBK-HNNXBMFYSA-N
XLogP3.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

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CID 4283517
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benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
dibenzyl 2-(phenylmethoxycarbonylamino)propanedioate
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CID 11067450
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
benzyl N-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]carbamate
CID 59064326
benzyl N-(1-amino-2,2,2-trifluoroethyl)carbamate
CID 45036579
benzyl N-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]carbamate
CID 825900
(2S)-2-(phenylmethoxycarbonylamino)-3-(4-phenylphenyl)propanoic acid
CID 7010375
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate (CID 11346335) is benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate is O=C(N[C@H](F)Cc1ccccc1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate?
The InChIKey is KOHPTSHLCVGKBK-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-15(11-13-7-3-1-4-8-13)18-16(19)20-12-14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)/t15-/m0/s1.
What are the key properties of benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate?
benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate has a molecular weight of 273.31 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-fluoro-2-phenylethyl]carbamate is sourced from PubChem (CID 11346335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).