tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate

C14H19F2NO2 — CID 141111564

IUPACtert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@H](F)c1cccc(F)c1
InChIInChI=1S/C14H19F2NO2/c1-14(2,3)19-13(18)17-8-7-12(16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyOGXSTFLWBBRNCL-LBPRGKRZSA-N
MW271.31 g/mol
LogP3.75
Rot. Bonds4

About tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate

tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate (PubChem CID 141111564) has the molecular formula C14H19F2NO2 and a molecular weight of 271.31 g/mol. Its IUPAC name is tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate
PubChem CID141111564
Molecular FormulaC14H19F2NO2
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nametert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate
SMILESCC(C)(C)OC(=O)NCC[C@H](F)c1cccc(F)c1
InChIInChI=1S/C14H19F2NO2/c1-14(2,3)19-13(18)17-8-7-12(16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8H2,1-3H3,(H,17,18)/t12-/m0/s1
InChIKeyOGXSTFLWBBRNCL-LBPRGKRZSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]propyl]carbamate
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tert-butyl N-[1-(3-fluorophenyl)ethyl]carbamate
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tert-butyl N-(5-amino-3-methyl-5-oxopentyl)carbamate;1,3-difluorobenzene;ethane
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tert-butyl N-[(3S)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
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tert-butyl N-[(3R)-3-(3-fluorophenyl)-3-hydroxypropoxy]carbamate
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tert-butyl N-[2-fluoro-2-(3-nitrophenyl)ethyl]carbamate
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(2R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylbutanoic acid
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(2R,3R)-3-(3-fluorophenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
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tert-butyl N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]carbamate
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tert-butyl N-[(2S)-2-(3-fluorophenyl)-2-(5-oxooxolan-2-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate (CID 141111564) is tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate is CC(C)(C)OC(=O)NCC[C@H](F)c1cccc(F)c1.
What is the InChIKey of tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate?
The InChIKey is OGXSTFLWBBRNCL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H19F2NO2/c1-14(2,3)19-13(18)17-8-7-12(16)10-5-4-6-11(15)9-10/h4-6,9,12H,7-8H2,1-3H3,(H,17,18)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate?
tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate has a molecular weight of 271.31 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-3-fluoro-3-(3-fluorophenyl)propyl]carbamate is sourced from PubChem (CID 141111564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).