N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide

C10H14F3NO — CID 43701258

IUPACN-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c1-2-9(15)14-8-5-3-7(4-6-8)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15)
InChIKeyYQARFASZUZLVPI-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.41
Rot. Bonds2

About N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide

N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide (PubChem CID 43701258) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
PubChem CID43701258
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c1-2-9(15)14-8-5-3-7(4-6-8)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15)
InChIKeyYQARFASZUZLVPI-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide 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-(cyclohexylmethyl)prop-2-enamide
CID 14872606
2,2,2-trifluoro-N-(4-methylcyclohexyl)acetamide
CID 13811892
N-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 297483
cis-4-Trifluoroacetylaminomethylcyclohexylamine
CID 22667927
N-(2-ethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)prop-2-enamide
CID 58676063
N-[(1S,2R)-2-ethenylcyclohexyl]-2,2,2-trifluoroacetamide
CID 118374455
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide
CID 118894918
N-[4-[4-(3-fluoropropyl)cyclohexyl]cyclohexyl]prop-2-enamide
CID 134244987
2-Propenamide, N-(1-cyclohexylethyl)-
CID 541857
(E)-4-oxo-4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]amino]but-2-enoate
CID 7090789
(E)-4-oxo-4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]amino]but-2-enoate
CID 7090791
(E)-4-oxo-4-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]but-2-enoate
CID 7090793

Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide (CID 43701258) is N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The InChIKey is YQARFASZUZLVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-2-9(15)14-8-5-3-7(4-6-8)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15).
What are the key properties of N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide?
N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide has a molecular weight of 221.22 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethyl)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 43701258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).