tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate

C11H19F2NO2 — CID 96581675

IUPACtert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(F)F
InChIInChI=1S/C11H19F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyRTJXKBCOFPFTAZ-JGVFFNPUSA-N
MW235.27 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate

tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate (PubChem CID 96581675) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate
PubChem CID96581675
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Nametert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(F)F
InChIInChI=1S/C11H19F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1
InChIKeyRTJXKBCOFPFTAZ-JGVFFNPUSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-((1R,3S)-3-(aminomethyl)cyclopentyl)carbamate
CID 11962832
rel-((1R,3R)-3-(Aminomethyl)cyclopentyl)carbamic acid 1,1-dimethylethyl ester
CID 21110012
tert-butyl N-((3-aminocyclopentyl)methyl)carbamate
CID 22714061
tert-butyl N-[(2-aminocyclopentyl)methyl]carbamate
CID 50986497
rac-tert-butyl N-{[(1R,2R)-2-aminocyclopentyl]methyl}carbamate
CID 52421373
tert-butyl N-(2-(aminomethyl)cyclopentyl)carbamate
CID 53486461
tert-butyl N-(2-amino-2-cyclopentylethyl)carbamate
CID 68109564
[4beta-(Trifluoromethyl)cyclohexane-1beta-yl]carbamic acid tert-butyl ester
CID 60872775
tert-butyl N-[(1R,2R)-2-fluorocyclopentyl]carbamate
CID 126492169
tert-butyl (((1R,2R)-2-aminocyclopentyl)methyl)carbamate
CID 52421379
tert-butyl ((1R,2R)-2-(aminomethyl)cyclopentyl)carbamate
CID 94866036
rac-tert-butyl N-(((2R,3R)-2-(trifluoromethyl)piperidin-3-yl)methyl)carbamate
CID 122163409

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate (CID 96581675) is tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(F)F.
What is the InChIKey of tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate?
The InChIKey is RTJXKBCOFPFTAZ-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-11(2,3)16-10(15)14-8-6-4-5-7(8)9(12)13/h7-9H,4-6H2,1-3H3,(H,14,15)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate?
tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate has a molecular weight of 235.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2S)-2-(difluoromethyl)cyclopentyl]carbamate is sourced from PubChem (CID 96581675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).