(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine

C11H12F3NO — CID 115038096

IUPAC(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
SMILESCOc1cccc(/C(=C\CN)C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-16-9-4-2-3-8(7-9)10(5-6-15)11(12,13)14/h2-5,7H,6,15H2,1H3/b10-5+
InChIKeyJMDDIBDYTIFBLC-BJMVGYQFSA-N
MW231.22 g/mol
LogP2.60
Rot. Bonds3

About (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine

(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine (PubChem CID 115038096) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine.

Molecular Properties

Compound Name(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
PubChem CID115038096
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine
SMILESCOc1cccc(/C(=C\CN)C(F)(F)F)c1
InChIInChI=1S/C11H12F3NO/c1-16-9-4-2-3-8(7-9)10(5-6-15)11(12,13)14/h2-5,7H,6,15H2,1H3/b10-5+
InChIKeyJMDDIBDYTIFBLC-BJMVGYQFSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)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

(E)-3-(3-methoxyphenyl)-2-(trifluoromethyl)prop-2-en-1-amine
CID 115038095
(E)-4,4,4-trifluoro-2-(3-methoxyphenyl)but-2-enal
CID 122211195
(Z)-3,4,4-trifluoro-4-(3-methoxyphenyl)sulfonylbut-2-en-1-amine
CID 155585083
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
4-[(E)-4-amino-1,1,1-trifluorobut-2-en-2-yl]phenol
CID 115029863
(3Z)-4-(3-methoxyphenyl)buta-1,3-diene-1,1,4-triamine
CID 178030390
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
(E)-3-amino-2-(3-methoxyphenyl)prop-2-enal
CID 173430075
(E)-3-fluoro-2-(3-methoxyphenyl)prop-2-en-1-ol
CID 13320085
3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine
CID 76996884
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979

Frequently Asked Questions

What is the IUPAC name of (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine?
The IUPAC name of (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine (CID 115038096) is (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine.
What is the SMILES notation for (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine?
The canonical SMILES for (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine is COc1cccc(/C(=C\CN)C(F)(F)F)c1.
What is the InChIKey of (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine?
The InChIKey is JMDDIBDYTIFBLC-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-9-4-2-3-8(7-9)10(5-6-15)11(12,13)14/h2-5,7H,6,15H2,1H3/b10-5+.
What are the key properties of (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine?
(E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,4,4-trifluoro-3-(3-methoxyphenyl)but-2-en-1-amine is sourced from PubChem (CID 115038096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).