3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine

C11H12F3NO — CID 76997280

IUPAC3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
SMILESCC(=CCN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO/c1-8(6-7-15)9-2-4-10(5-3-9)16-11(12,13)14/h2-6H,7,15H2,1H3
InChIKeyIJEKJAYJSSOSEV-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.95
Rot. Bonds3

About 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine

3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine (PubChem CID 76997280) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
PubChem CID76997280
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine
SMILESCC(=CCN)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C11H12F3NO/c1-8(6-7-15)9-2-4-10(5-3-9)16-11(12,13)14/h2-6H,7,15H2,1H3
InChIKeyIJEKJAYJSSOSEV-UHFFFAOYSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine 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

(Z)-4-[4-(trifluoromethoxy)phenyl]pent-3-en-2-one
CID 103970826
1-propyl-4-[2-[4-(trifluoromethoxy)phenyl]prop-1-enyl]benzene
CID 54383292
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
[(E)-2-[4-(trifluoromethoxy)phenyl]prop-1-enyl] pyridine-4-carboxylate
CID 175215487
1-fluoro-4-[(E)-1-[4-(trifluoromethoxy)phenyl]pent-1-enyl]benzene
CID 158698119
1-(5-chloropent-2-en-2-yl)-3-(trifluoromethoxy)benzene
CID 79593116
butyl 4-(trifluoromethoxy)benzoate
CID 113220950
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
1-buta-1,3-dien-2-yl-4-(trifluoromethoxy)benzene
CID 123349767
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine (CID 76997280) is 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine is CC(=CCN)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine?
The InChIKey is IJEKJAYJSSOSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-8(6-7-15)9-2-4-10(5-3-9)16-11(12,13)14/h2-6H,7,15H2,1H3.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine?
3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]but-2-en-1-amine is sourced from PubChem (CID 76997280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).