1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

C9H11F3N2O — CID 60718245

IUPAC1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)6-14-7(15)8(5-13)3-1-2-4-8/h1-4,6H2,(H,14,15)
InChIKeyCLQOJEVNJWQZSD-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.75
Rot. Bonds2

About 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide

1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (PubChem CID 60718245) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
PubChem CID60718245
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)F)CCCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)6-14-7(15)8(5-13)3-1-2-4-8/h1-4,6H2,(H,14,15)
InChIKeyCLQOJEVNJWQZSD-UHFFFAOYSA-N
XLogP1.75
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide (CID 60718245) is 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is N#CC1(C(=O)NCC(F)(F)F)CCCC1.
What is the InChIKey of 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
The InChIKey is CLQOJEVNJWQZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)6-14-7(15)8(5-13)3-1-2-4-8/h1-4,6H2,(H,14,15).
What are the key properties of 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide?
1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide has a molecular weight of 220.19 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2,2-trifluoroethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 60718245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).