1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide

C12H17F3N2O — CID 113322121

IUPAC1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCCCC(F)(F)F)CCCC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)7-3-4-8-17-10(18)11(9-16)5-1-2-6-11/h1-8H2,(H,17,18)
InChIKeyKBKYTPWXHBGXEJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.92
Rot. Bonds5

About 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide

1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide (PubChem CID 113322121) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
PubChem CID113322121
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCCCC(F)(F)F)CCCC1
InChIInChI=1S/C12H17F3N2O/c13-12(14,15)7-3-4-8-17-10(18)11(9-16)5-1-2-6-11/h1-8H2,(H,17,18)
InChIKeyKBKYTPWXHBGXEJ-UHFFFAOYSA-N
XLogP2.92
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 71111906
3,3-dicyano-N-(2,2-dimethylpropyl)-6,6,6-trifluorohexanamide
CID 87703977
1-methyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 143709849
N-(2,2-dimethylpropyl)-2,2-difluorocyclopentane-1-carboxamide
CID 146435527
1-propyl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 178787369
1-cyano-N-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 55037630
2-cyano-2-propyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 55174949
1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 60718245
1-cyano-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane-1-carboxamide
CID 60730881
1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
CID 61410278
1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 61461702
1-(aminomethyl)-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
CID 61830241

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide (CID 113322121) is 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide is N#CC1(C(=O)NCCCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
The InChIKey is KBKYTPWXHBGXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c13-12(14,15)7-3-4-8-17-10(18)11(9-16)5-1-2-6-11/h1-8H2,(H,17,18).
What are the key properties of 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide?
1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 113322121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).