N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide

C10H14F3NO — CID 146109434

IUPACN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO/c1-2-9(15)14-8-5-3-4-7(6-8)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15)/t7-,8+/m1/s1
InChIKeyKXXKPDSGQYBHOZ-SFYZADRCSA-N
MW221.22 g/mol
LogP2.41
Rot. Bonds2

About N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide

N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide (PubChem CID 146109434) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide
PubChem CID146109434
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC NameN-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H14F3NO/c1-2-9(15)14-8-5-3-4-7(6-8)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15)/t7-,8+/m1/s1
InChIKeyKXXKPDSGQYBHOZ-SFYZADRCSA-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-[(1S,3R)-3-(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-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
cis-(1S,3R)-3-(prop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 95362904
N-cyclodecylprop-2-enamide
CID 18400354
[3-(prop-2-enoylamino)cyclohexyl]boronic acid
CID 89424460
cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124833159
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)prop-2-enamide
CID 20727724
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-4-carboxamide
CID 764833
2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 76887112
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The IUPAC name of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide (CID 146109434) is N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide is C=CC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide?
The InChIKey is KXXKPDSGQYBHOZ-SFYZADRCSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-2-9(15)14-8-5-3-4-7(6-8)10(11,12)13/h2,7-8H,1,3-6H2,(H,14,15)/t7-,8+/m1/s1.
What are the key properties of N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide?
N-[(1S,3R)-3-(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-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 146109434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).