N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide

C8H10F3NO — CID 11084723

IUPACN-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,12,13)
InChIKeyBRUZPHLIKWLQMW-UHFFFAOYSA-N
MW193.17 g/mol
LogP1.77
Rot. Bonds1

About N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide

N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide (PubChem CID 11084723) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide
PubChem CID11084723
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC NameN-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide
SMILESO=C(NC1CC=CCC1)C(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,12,13)
InChIKeyBRUZPHLIKWLQMW-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 51.77
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-yl-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

CID 10535774
CID 10535774
CID 10219472
CID 10219472
CID 10488084
CID 10488084
CID 78078417
CID 78078417
CID 134894143
CID 134894143
CID 138976346
CID 138976346
CID 162404939
CID 162404939
CID 162413325
CID 162413325
CID 13616833
CID 13616833
CID 126786058
CID 126786058
CID 11042638
CID 11042638
CID 11095798
CID 11095798

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide?
The IUPAC name of N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide (CID 11084723) is N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide?
The canonical SMILES for N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide is O=C(NC1CC=CCC1)C(F)(F)F.
What is the InChIKey of N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide?
The InChIKey is BRUZPHLIKWLQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h1-2,6H,3-5H2,(H,12,13).
What are the key properties of N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide?
N-cyclohex-3-en-1-yl-2,2,2-trifluoroacetamide has a molecular weight of 193.17 g/mol, XLogP of 1.77, 1 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-yl-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11084723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).