N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide

C9H11F3N2O — CID 61121115

IUPACN-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide
SMILESN#CC1(NC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7(15)14-8(6-13)4-2-1-3-5-8/h1-5H2,(H,14,15)
InChIKeyHPYNTFBNBVRUMT-UHFFFAOYSA-N
MW220.19 g/mol
LogP1.89
Rot. Bonds1

About N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide

N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide (PubChem CID 61121115) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide
PubChem CID61121115
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC NameN-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide
SMILESN#CC1(NC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C9H11F3N2O/c10-9(11,12)7(15)14-8(6-13)4-2-1-3-5-8/h1-5H2,(H,14,15)
InChIKeyHPYNTFBNBVRUMT-UHFFFAOYSA-N
XLogP1.89
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide (CID 61121115) is N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide is N#CC1(NC(=O)C(F)(F)F)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide?
The InChIKey is HPYNTFBNBVRUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c10-9(11,12)7(15)14-8(6-13)4-2-1-3-5-8/h1-5H2,(H,14,15).
What are the key properties of N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide?
N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide has a molecular weight of 220.19 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 61121115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).