tert-butyl N-(2,2-difluorocyclohexyl)carbamate

C11H19F2NO2 — CID 70317429

IUPACtert-butyl N-(2,2-difluorocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1(F)F
InChIInChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)14-8-6-4-5-7-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyIDYCBSJTJKHNRX-UHFFFAOYSA-N
MW235.27 g/mol
LogP3.09
Rot. Bonds1

About tert-butyl N-(2,2-difluorocyclohexyl)carbamate

tert-butyl N-(2,2-difluorocyclohexyl)carbamate (PubChem CID 70317429) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is tert-butyl N-(2,2-difluorocyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-difluorocyclohexyl)carbamate
PubChem CID70317429
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Nametert-butyl N-(2,2-difluorocyclohexyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1(F)F
InChIInChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)14-8-6-4-5-7-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyIDYCBSJTJKHNRX-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2,2-difluorocyclopentyl)carbamate
CID 66792233
tert-butyl N-[(1S)-2,2-difluorocyclopropyl]carbamate
CID 52908307
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-(6-amino-2,2-difluorocyclohexyl)carbamate
CID 76672221
tert-butyl N-(2-acetyl-2-methylcyclopentyl)carbamate
CID 165465207
cis-(1S,2S)-1-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid
CID 124575960
trans-methyl (1S,4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 140874834
cis-(1R,2R)-1-methoxycarbonyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 66679596
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-difluorocyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-difluorocyclohexyl)carbamate (CID 70317429) is tert-butyl N-(2,2-difluorocyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-difluorocyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-difluorocyclohexyl)carbamate is CC(C)(C)OC(=O)NC1CCCCC1(F)F.
What is the InChIKey of tert-butyl N-(2,2-difluorocyclohexyl)carbamate?
The InChIKey is IDYCBSJTJKHNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-10(2,3)16-9(15)14-8-6-4-5-7-11(8,12)13/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2,2-difluorocyclohexyl)carbamate?
tert-butyl N-(2,2-difluorocyclohexyl)carbamate has a molecular weight of 235.27 g/mol, XLogP of 3.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,2-difluorocyclohexyl)carbamate is sourced from PubChem (CID 70317429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).