3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine

C10H11F4NO — CID 82534391

IUPAC3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)cc1C(CN)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-16-9-3-2-6(11)4-7(9)8(5-15)10(12,13)14/h2-4,8H,5,15H2,1H3
InChIKeyYHQRPBUXQPMCKU-UHFFFAOYSA-N
MW237.20 g/mol
LogP2.44
Rot. Bonds3

About 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine

3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine (PubChem CID 82534391) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
PubChem CID82534391
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine
SMILESCOc1ccc(F)cc1C(CN)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-16-9-3-2-6(11)4-7(9)8(5-15)10(12,13)14/h2-4,8H,5,15H2,1H3
InChIKeyYHQRPBUXQPMCKU-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-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

(1R)-2,2,2-trifluoro-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 28966440
2-(2,5-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534397
(1S)-3-fluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 171224945
2-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-amine
CID 82078103
2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
CID 61086434
2-(3,4-dimethoxyphenyl)-3,3,3-trifluoropropan-1-amine
CID 70589172
(1S)-1-(5-fluoro-2-methoxyphenyl)pentane-1,5-diamine
CID 171224932
2-[1-bromo-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-4-fluoro-1-methoxybenzene
CID 103310717
amino-(5-fluoro-2-methoxyphenyl)methanethiol
CID 116939436
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutan-1-amine
CID 43122340
3,3,3-trifluoro-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 61087261

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine (CID 82534391) is 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine is COc1ccc(F)cc1C(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine?
The InChIKey is YHQRPBUXQPMCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-16-9-3-2-6(11)4-7(9)8(5-15)10(12,13)14/h2-4,8H,5,15H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine?
3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine has a molecular weight of 237.20 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(5-fluoro-2-methoxyphenyl)propan-1-amine is sourced from PubChem (CID 82534391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).