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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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).