N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide

C11H15F3N2O — CID 61119734

IUPACN-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide
SMILESCC1CCC(C#N)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c1-8-2-4-10(7-15,5-3-8)16-9(17)6-11(12,13)14/h8H,2-6H2,1H3,(H,16,17)
InChIKeyABNUEWUKQSEKID-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.53
Rot. Bonds2

About N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide

N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide (PubChem CID 61119734) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide
PubChem CID61119734
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide
SMILESCC1CCC(C#N)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c1-8-2-4-10(7-15,5-3-8)16-9(17)6-11(12,13)14/h8H,2-6H2,1H3,(H,16,17)
InChIKeyABNUEWUKQSEKID-UHFFFAOYSA-N
XLogP2.53
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 199610
CID 199610
CID 126793329
CID 126793329
CID 118309341
CID 118309341
CID 55138729
CID 55138729
CID 60731336
CID 60731336
CID 61118959
CID 61118959
CID 61121115
CID 61121115
CID 61121212
CID 61121212
CID 65711553
CID 65711553
CID 65711749
CID 65711749
CID 65711750
CID 65711750
CID 71917187
CID 71917187

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide (CID 61119734) is N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide is CC1CCC(C#N)(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide?
The InChIKey is ABNUEWUKQSEKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-8-2-4-10(7-15,5-3-8)16-9(17)6-11(12,13)14/h8H,2-6H2,1H3,(H,16,17).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide?
N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide has a molecular weight of 248.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 61119734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).