[(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate

C10H17F2NO2 — CID 162781158

IUPAC[(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate
SMILESNC(=O)OC[C@H](F)C(F)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c11-8(6-15-10(13)14)9(12)7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,13,14)/t8-,9?/m0/s1
InChIKeyYNFFBGWXGNQIQW-IENPIDJESA-N
MW221.25 g/mol
LogP2.34
Rot. Bonds4

About [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate

[(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate (PubChem CID 162781158) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate
PubChem CID162781158
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name[(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate
SMILESNC(=O)OC[C@H](F)C(F)C1CCCCC1
InChIInChI=1S/C10H17F2NO2/c11-8(6-15-10(13)14)9(12)7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,13,14)/t8-,9?/m0/s1
InChIKeyYNFFBGWXGNQIQW-IENPIDJESA-N
XLogP2.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate (CID 162781158) is [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate is NC(=O)OC[C@H](F)C(F)C1CCCCC1.
What is the InChIKey of [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate?
The InChIKey is YNFFBGWXGNQIQW-IENPIDJESA-N. The full InChI is InChI=1S/C10H17F2NO2/c11-8(6-15-10(13)14)9(12)7-4-2-1-3-5-7/h7-9H,1-6H2,(H2,13,14)/t8-,9?/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate?
[(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate has a molecular weight of 221.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-2,3-difluoropropyl] carbamate is sourced from PubChem (CID 162781158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).