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

C10H17F2NO2 — CID 66792233

IUPACtert-butyl N-(2,2-difluorocyclopentyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1(F)F
InChIInChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-7-5-4-6-10(7,11)12/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyMNXNTXJELBUAIP-UHFFFAOYSA-N
MW221.25 g/mol
LogP2.70
Rot. Bonds1

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

tert-butyl N-(2,2-difluorocyclopentyl)carbamate (PubChem CID 66792233) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is tert-butyl N-(2,2-difluorocyclopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,2-difluorocyclopentyl)carbamate
PubChem CID66792233
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Nametert-butyl N-(2,2-difluorocyclopentyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1(F)F
InChIInChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-7-5-4-6-10(7,11)12/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyMNXNTXJELBUAIP-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-(2,2-difluorocyclohexyl)carbamate
CID 70317429
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-(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
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
tert-butyl N-(8-azaspiro[4.5]decan-4-yl)carbamate
CID 127264221
trans-methyl (1S,4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 140874834
cis-ethyl (1S,2R)-3,3-difluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
CID 56590455
tert-butyl N-[(3S)-4,4-difluoropyrrolidin-3-yl]carbamate
CID 124523315
tert-butyl N-[(1S,2S)-2-azido-3,3-difluorocyclohexyl]carbamate
CID 123311477

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,2-difluorocyclopentyl)carbamate?
The IUPAC name of tert-butyl N-(2,2-difluorocyclopentyl)carbamate (CID 66792233) is tert-butyl N-(2,2-difluorocyclopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(2,2-difluorocyclopentyl)carbamate?
The canonical SMILES for tert-butyl N-(2,2-difluorocyclopentyl)carbamate is CC(C)(C)OC(=O)NC1CCCC1(F)F.
What is the InChIKey of tert-butyl N-(2,2-difluorocyclopentyl)carbamate?
The InChIKey is MNXNTXJELBUAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-9(2,3)15-8(14)13-7-5-4-6-10(7,11)12/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-(2,2-difluorocyclopentyl)carbamate?
tert-butyl N-(2,2-difluorocyclopentyl)carbamate has a molecular weight of 221.25 g/mol, XLogP of 2.70, 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-difluorocyclopentyl)carbamate is sourced from PubChem (CID 66792233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).