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

C10H13F3N2O — CID 61461702

IUPAC1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7-15-8(16)9(6-14)4-2-1-3-5-9/h1-5,7H2,(H,15,16)
InChIKeyWIQWNASNGCBWEP-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.14
Rot. Bonds2

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

1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (PubChem CID 61461702) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
PubChem CID61461702
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)F)CCCCC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7-15-8(16)9(6-14)4-2-1-3-5-9/h1-5,7H2,(H,15,16)
InChIKeyWIQWNASNGCBWEP-UHFFFAOYSA-N
XLogP2.14
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide (CID 61461702) is 1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide is N#CC1(C(=O)NCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
The InChIKey is WIQWNASNGCBWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)7-15-8(16)9(6-14)4-2-1-3-5-9/h1-5,7H2,(H,15,16).
What are the key properties of 1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide?
1-cyano-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide has a molecular weight of 234.22 g/mol, XLogP of 2.14, 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)cyclohexane-1-carboxamide is sourced from PubChem (CID 61461702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).