N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide

C9H12F3NO — CID 54046672

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,13,14)
InChIKeyLQBJYFNBTOIHSM-UHFFFAOYSA-N
MW207.19 g/mol
LogP2.02
Rot. Bonds2

About N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide

N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide (PubChem CID 54046672) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
PubChem CID54046672
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,13,14)
InChIKeyLQBJYFNBTOIHSM-UHFFFAOYSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(cyclohex-3-en-1-ylmethyl)-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

Related Compounds

N-(cyclohex-3-en-1-ylmethyl)-2,2-difluoroacetamide
CID 103515679
methyl 2-(cyclohex-3-en-1-ylmethylamino)-2-oxoacetate
CID 112617086
N-(cyclohex-3-en-1-ylmethyl)-3,3-difluorocyclobutane-1-carboxamide
CID 126790248
1-(cyclohex-3-en-1-ylmethyl)-3-propylurea
CID 89090826
2,2,2-trifluoro-N-(thian-4-ylmethyl)acetamide
CID 115625197
2-(cyclohex-3-en-1-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 115587189
propan-2-yl N-(cyclohex-3-en-1-ylmethyl)carbamate
CID 116655281
2-[[(1S)-cyclohex-3-en-1-yl]methylamino]-N,N,2-trimethylpropanamide
CID 97240049
3-(cyclohex-3-en-1-ylmethylcarbamoylamino)-2,2,3-trimethylbutanoic acid
CID 65263860
cis-(1S,2R)-2-(cyclohex-3-en-1-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 114092192
5-amino-N-(cyclohex-3-en-1-ylmethyl)-2-methylpentanamide
CID 104684940
1-(aminomethyl)-N-(cyclohex-3-en-1-ylmethyl)cyclopentane-1-carboxamide
CID 113309488

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide (CID 54046672) is N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide is O=C(NCC1CC=CCC1)C(F)(F)F.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide?
The InChIKey is LQBJYFNBTOIHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-2,7H,3-6H2,(H,13,14).
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide?
N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide has a molecular weight of 207.19 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 54046672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).