cyclopentyl N-(2,4-difluorophenyl)carbamate

C12H13F2NO2 — CID 113218545

IUPACcyclopentyl N-(2,4-difluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1F)OC1CCCC1
InChIInChI=1S/C12H13F2NO2/c13-8-5-6-11(10(14)7-8)15-12(16)17-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyISLKYPAQIYSQCU-UHFFFAOYSA-N
MW241.24 g/mol
LogP3.46
Rot. Bonds2

About cyclopentyl N-(2,4-difluorophenyl)carbamate

cyclopentyl N-(2,4-difluorophenyl)carbamate (PubChem CID 113218545) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is cyclopentyl N-(2,4-difluorophenyl)carbamate.

Molecular Properties

Compound Namecyclopentyl N-(2,4-difluorophenyl)carbamate
PubChem CID113218545
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Namecyclopentyl N-(2,4-difluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1F)OC1CCCC1
InChIInChI=1S/C12H13F2NO2/c13-8-5-6-11(10(14)7-8)15-12(16)17-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16)
InChIKeyISLKYPAQIYSQCU-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl N-(4-chloro-2-fluorophenyl)carbamate
CID 112738809
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 112738572
cyclopentyl N-[2-amino-4-[(4-fluorophenyl)methoxy]phenyl]carbamate
CID 25030692
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
1-(2,4-difluorophenyl)-3-(2-hydroxycyclohexyl)urea
CID 47091282
cyclopentyl N-[2-(aminomethyl)-3-fluorophenyl]carbamate
CID 112738527
cyclohexyl N-(2,5-dimethylphenyl)carbamate
CID 3262624
cyclohexyl N-(5-chloro-2-methylphenyl)carbamate
CID 4569721
cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium
CID 9265335
N'-cyclohexyl-N-(2,4-difluorophenyl)-N'-methyloxamide
CID 108503869
1-N,2-N-bis(2,4-difluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109144111

Frequently Asked Questions

What is the IUPAC name of cyclopentyl N-(2,4-difluorophenyl)carbamate?
The IUPAC name of cyclopentyl N-(2,4-difluorophenyl)carbamate (CID 113218545) is cyclopentyl N-(2,4-difluorophenyl)carbamate.
What is the SMILES notation for cyclopentyl N-(2,4-difluorophenyl)carbamate?
The canonical SMILES for cyclopentyl N-(2,4-difluorophenyl)carbamate is O=C(Nc1ccc(F)cc1F)OC1CCCC1.
What is the InChIKey of cyclopentyl N-(2,4-difluorophenyl)carbamate?
The InChIKey is ISLKYPAQIYSQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-8-5-6-11(10(14)7-8)15-12(16)17-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,15,16).
What are the key properties of cyclopentyl N-(2,4-difluorophenyl)carbamate?
cyclopentyl N-(2,4-difluorophenyl)carbamate has a molecular weight of 241.24 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl N-(2,4-difluorophenyl)carbamate is sourced from PubChem (CID 113218545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).