N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

C12H19F3N2O — CID 86780784

IUPACN-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1(NCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H19F3N2O/c1-2-8-16-10(18)11(6-4-3-5-7-11)17-9-12(13,14)15/h2,17H,1,3-9H2,(H,16,18)
InChIKeyNBHWRNXUVGIXMR-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.14
Rot. Bonds5

About N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide

N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (PubChem CID 86780784) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
PubChem CID86780784
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC NameN-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide
SMILESC=CCNC(=O)C1(NCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H19F3N2O/c1-2-8-16-10(18)11(6-4-3-5-7-11)17-9-12(13,14)15/h2,17H,1,3-9H2,(H,16,18)
InChIKeyNBHWRNXUVGIXMR-UHFFFAOYSA-N
XLogP2.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide 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

1-prop-2-enyl-3-(2,2,2-trifluoroethyl)urea
CID 115575971
1-amino-N-(2,2,2-trifluoroethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119291003
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylacetamide
CID 64549156
4-amino-N-prop-2-enyloxane-4-carboxamide
CID 115293592
1-(methylamino)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 144653183
1-[2-oxo-2-(prop-2-enylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529261
2-amino-1-methyl-N-prop-2-enylcyclohexane-1-carboxamide
CID 130645619
2-phosphanyl-N-prop-2-enylacetamide
CID 88653876
1-amino-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxamide
CID 119297008
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112699710
2-[(1-aminocycloheptyl)methoxy]-N-prop-2-enylpropanamide
CID 64549565

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The IUPAC name of N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide (CID 86780784) is N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is C=CCNC(=O)C1(NCC(F)(F)F)CCCCC1.
What is the InChIKey of N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
The InChIKey is NBHWRNXUVGIXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-2-8-16-10(18)11(6-4-3-5-7-11)17-9-12(13,14)15/h2,17H,1,3-9H2,(H,16,18).
What are the key properties of N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide?
N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide has a molecular weight of 264.29 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 86780784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).