N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C12H14F6N2O — CID 103309839

IUPACN-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#CC(NC(=O)C(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)9(12(16,17)18)10(21)20-8(6-19)7-4-2-1-3-5-7/h7-9H,1-5H2,(H,20,21)
InChIKeyVMCFKLGUHHFWHM-UHFFFAOYSA-N
MW316.25 g/mol
LogP3.32
Rot. Bonds3

About N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103309839) has the molecular formula C12H14F6N2O and a molecular weight of 316.25 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103309839
Molecular FormulaC12H14F6N2O
Molecular Weight316.25 g/mol
Exact Mass316.10
IUPAC NameN-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESN#CC(NC(=O)C(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H14F6N2O/c13-11(14,15)9(12(16,17)18)10(21)20-8(6-19)7-4-2-1-3-5-7/h7-9H,1-5H2,(H,20,21)
InChIKeyVMCFKLGUHHFWHM-UHFFFAOYSA-N
XLogP3.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide
CID 103513774
methyl N-[cyano(cyclohexyl)methyl]carbamate
CID 61124825
N-cyclopentyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310113
N-[(S)-cyano(cyclopropyl)methyl]-2-methylpropanamide
CID 170087415
N-[cyano(cyclopropyl)methyl]-3,3,3-trifluoropropanamide
CID 63821426
N-[cyano(cyclopropyl)methyl]cyclopentanecarboxamide
CID 63821048
N-[2-[[cyano(cyclohexyl)methyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 71979380
N-[cyano(cyclohexyl)methyl]oxane-2-carboxamide
CID 55048282
N-[cyano(cyclohexyl)methyl]-2-ethoxyacetamide
CID 55136713
N-[cyano(cyclohexyl)methyl]-3-(2,2-difluoroethoxy)propanamide
CID 103208226
N-[cyano(cyclohexyl)methyl]morpholine-4-carboxamide
CID 79155147
N-[cyano(cyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 61365534

Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103309839) is N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is N#CC(NC(=O)C(C(F)(F)F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is VMCFKLGUHHFWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N2O/c13-11(14,15)9(12(16,17)18)10(21)20-8(6-19)7-4-2-1-3-5-7/h7-9H,1-5H2,(H,20,21).
What are the key properties of N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 316.25 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103309839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).