(E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine

C11H12F3NO — CID 117333667

IUPAC(E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine
SMILESCOc1c(F)cc(C(F)F)cc1/C=C/CN
InChIInChI=1S/C11H12F3NO/c1-16-10-7(3-2-4-15)5-8(11(13)14)6-9(10)12/h2-3,5-6,11H,4,15H2,1H3/b3-2+
InChIKeyBVMMZYIVBFJHIN-NSCUHMNNSA-N
MW231.22 g/mol
LogP2.74
Rot. Bonds4

About (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine

(E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine (PubChem CID 117333667) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine
PubChem CID117333667
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name(E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine
SMILESCOc1c(F)cc(C(F)F)cc1/C=C/CN
InChIInChI=1S/C11H12F3NO/c1-16-10-7(3-2-4-15)5-8(11(13)14)6-9(10)12/h2-3,5-6,11H,4,15H2,1H3/b3-2+
InChIKeyBVMMZYIVBFJHIN-NSCUHMNNSA-N
XLogP2.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-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-fluoro-2-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117285354
(E)-3-[5-(1-fluoroethyl)-2,3-dimethoxyphenyl]prop-2-en-1-amine
CID 117350900
(E)-3-[2-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359378
(E)-3-(2,5-dimethoxy-3-methylsulfanylphenyl)prop-2-en-1-amine
CID 117351505
(E)-3-(4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117285356
(E)-3-(5-chloro-4-fluoro-2-methoxy-3-methylphenyl)prop-2-en-1-amine
CID 117331527
(E)-3-(4-chloro-2-fluoro-3-methoxy-5-methylphenyl)prop-2-en-1-amine
CID 117331523
2-[(E)-3-aminoprop-1-enyl]-4,6-difluoro-3-methoxyphenol
CID 117306260
(E)-3-[3-(difluoromethyl)-4,5-dimethoxyphenyl]prop-2-en-1-amine
CID 117359380
(E)-3-(5-bromo-2,4-dimethoxy-3-methylphenyl)prop-2-en-1-amine
CID 117460762
(E)-3-(2-fluoro-5-methoxy-4-methylphenyl)prop-2-en-1-amine
CID 117285336
5-[(E)-3-aminoprop-1-enyl]-2-fluoro-4-methoxyphenol
CID 117286690

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine?
The IUPAC name of (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine (CID 117333667) is (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine is COc1c(F)cc(C(F)F)cc1/C=C/CN.
What is the InChIKey of (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine?
The InChIKey is BVMMZYIVBFJHIN-NSCUHMNNSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-16-10-7(3-2-4-15)5-8(11(13)14)6-9(10)12/h2-3,5-6,11H,4,15H2,1H3/b3-2+.
What are the key properties of (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine?
(E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine has a molecular weight of 231.22 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]prop-2-en-1-amine is sourced from PubChem (CID 117333667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).