1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide

C10H13F3N2O — CID 63226756

IUPAC1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)5-6-15-8(16)9(7-14)3-1-2-4-9/h1-6H2,(H,15,16)
InChIKeyFKUNOWHLCMRMGX-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.14
Rot. Bonds3

About 1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide

1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide (PubChem CID 63226756) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
PubChem CID63226756
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)5-6-15-8(16)9(7-14)3-1-2-4-9/h1-6H2,(H,15,16)
InChIKeyFKUNOWHLCMRMGX-UHFFFAOYSA-N
XLogP2.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
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-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide (CID 63226756) is 1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide is N#CC1(C(=O)NCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The InChIKey is FKUNOWHLCMRMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)5-6-15-8(16)9(7-14)3-1-2-4-9/h1-6H2,(H,15,16).
What are the key properties of 1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
1-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide has a molecular weight of 234.22 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-cyano-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 63226756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).