1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide

C12H13F2NO2 — CID 82130018

IUPAC1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(Oc2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C12H13F2NO2/c13-9-4-3-8(7-10(9)14)17-12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H2,15,16)
InChIKeySWKANAZLFHBVQQ-UHFFFAOYSA-N
MW241.24 g/mol
LogP2.14
Rot. Bonds3

About 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide

1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide (PubChem CID 82130018) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide
PubChem CID82130018
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(Oc2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C12H13F2NO2/c13-9-4-3-8(7-10(9)14)17-12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H2,15,16)
InChIKeySWKANAZLFHBVQQ-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide (CID 82130018) is 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide is NC(=O)C1(Oc2ccc(F)c(F)c2)CCCC1.
What is the InChIKey of 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide?
The InChIKey is SWKANAZLFHBVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-4-3-8(7-10(9)14)17-12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H2,15,16).
What are the key properties of 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide?
1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 82130018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).