N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

C12H17F3N2O — CID 112690564

IUPACN-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C#N)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-8(6-16)7-17-11(18)9-4-2-3-5-10(9)12(13,14)15/h8-10H,2-5,7H2,1H3,(H,17,18)
InChIKeyQRCBXFJKRPBNBI-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.63
Rot. Bonds3

About N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 112690564) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID112690564
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCC(C#N)CNC(=O)C1CCCCC1C(F)(F)F
InChIInChI=1S/C12H17F3N2O/c1-8(6-16)7-17-11(18)9-4-2-3-5-10(9)12(13,14)15/h8-10H,2-5,7H2,1H3,(H,17,18)
InChIKeyQRCBXFJKRPBNBI-UHFFFAOYSA-N
XLogP2.63
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-1-N-(cyanomethyl)-2-N,2-N-dimethylcyclohexane-1,2-dicarboxamide
CID 60195809
N-methyl-3-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 176432926
N-(3-amino-2,2-dimethyl-3-oxopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 53509297
2-cyclohexyl-N-(2-fluoroethyl)acetamide
CID 18360952
4-propan-2-yl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 68084954
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
4,4-difluoro-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 81932123
N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 89487170
4-methyl-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide
CID 89760500
2-(3,3-difluorocyclohexyl)-N-pentan-2-ylacetamide
CID 90155064
4,4-difluoro-N-(3,3,4-trimethylhexyl)cyclohexane-1-carboxamide
CID 90872289
N-methyl-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115583696

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 112690564) is N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is CC(C#N)CNC(=O)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is QRCBXFJKRPBNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8(6-16)7-17-11(18)9-4-2-3-5-10(9)12(13,14)15/h8-10H,2-5,7H2,1H3,(H,17,18).
What are the key properties of N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 262.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 112690564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).