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

C12H17F3N2O — CID 61118959

IUPACN-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide
SMILESCCC1CCC(C#N)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c1-2-9-3-5-11(8-16,6-4-9)17-10(18)7-12(13,14)15/h9H,2-7H2,1H3,(H,17,18)
InChIKeyHTPKMZATZCLPRP-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.92
Rot. Bonds3

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

N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide (PubChem CID 61118959) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide
PubChem CID61118959
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide
SMILESCCC1CCC(C#N)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c1-2-9-3-5-11(8-16,6-4-9)17-10(18)7-12(13,14)15/h9H,2-7H2,1H3,(H,17,18)
InChIKeyHTPKMZATZCLPRP-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-N-[1-(difluoromethyl)cyclohexyl]acetamide
CID 126793329
N-(1-cyanocyclooctyl)-3,3,3-trifluoropropanamide
CID 54904748
N-(1-cyano-4-methylcyclohexyl)-2,2,2-trifluoroacetamide
CID 55138729
N-(1-cyanocyclohexyl)-3,3,3-trifluoropropanamide
CID 60731336
N-(1-cyano-4-methylcyclohexyl)-3,3,3-trifluoropropanamide
CID 61119734
N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide
CID 61121115
N-(1-cyano-4-ethylcyclohexyl)-2,2,2-trifluoroacetamide
CID 61121212
N-(1-cyanocyclohexyl)-4,4,4-trifluorobutanamide
CID 65711553
N-(1-cyano-4-methylcyclohexyl)-4,4,4-trifluorobutanamide
CID 65711749
N-(1-cyano-4-ethylcyclohexyl)-4,4,4-trifluorobutanamide
CID 65711750
N-(1-cyanocycloheptyl)-4,4,4-trifluorobutanamide
CID 65711751
N-(1-cyanocyclooctyl)-4,4,4-trifluorobutanamide
CID 65712159

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide (CID 61118959) is N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide is CCC1CCC(C#N)(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide?
The InChIKey is HTPKMZATZCLPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-9-3-5-11(8-16,6-4-9)17-10(18)7-12(13,14)15/h9H,2-7H2,1H3,(H,17,18).
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide?
N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide has a molecular weight of 262.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 61118959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).