tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate

C16H21F2NO2 — CID 91314578

IUPACtert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1c1ccc(F)cc1F
InChIInChI=1S/C16H21F2NO2/c1-16(2,3)21-15(20)19-14-6-4-5-12(14)11-8-7-10(17)9-13(11)18/h7-9,12,14H,4-6H2,1-3H3,(H,19,20)
InChIKeyRZYURZPAPOWWSP-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.13
Rot. Bonds2

About tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate

tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate (PubChem CID 91314578) has the molecular formula C16H21F2NO2 and a molecular weight of 297.35 g/mol. Its IUPAC name is tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate
PubChem CID91314578
Molecular FormulaC16H21F2NO2
Molecular Weight297.35 g/mol
Exact Mass297.15
IUPAC Nametert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC1c1ccc(F)cc1F
InChIInChI=1S/C16H21F2NO2/c1-16(2,3)21-15(20)19-14-6-4-5-12(14)11-8-7-10(17)9-13(11)18/h7-9,12,14H,4-6H2,1-3H3,(H,19,20)
InChIKeyRZYURZPAPOWWSP-UHFFFAOYSA-N
XLogP4.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate (CID 91314578) is tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate is CC(C)(C)OC(=O)NC1CCCC1c1ccc(F)cc1F.
What is the InChIKey of tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate?
The InChIKey is RZYURZPAPOWWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO2/c1-16(2,3)21-15(20)19-14-6-4-5-12(14)11-8-7-10(17)9-13(11)18/h7-9,12,14H,4-6H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate?
tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,4-difluorophenyl)cyclopentyl]carbamate is sourced from PubChem (CID 91314578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).