3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine

C10H11F4N — CID 53434374

IUPAC3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCCCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H11F4N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2
InChIKeySKNKZVIOLAPLHE-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.74
Rot. Bonds3

About 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine

3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 53434374) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID53434374
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
SMILESNCCCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H11F4N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2
InChIKeySKNKZVIOLAPLHE-UHFFFAOYSA-N
XLogP2.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[2-fluoro-5-(trifluoromethyl)phenyl]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

2-(3-aminopropyl)-4-(trifluoromethyl)phenol
CID 82262792
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
2-[2-fluoro-5-(trifluoromethyl)phenyl]ethylhydrazine
CID 53402567
2-(3-aminopropyl)-N,N-dimethyl-4-(trifluoromethyl)aniline
CID 115113362
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine
CID 83808880
2-(3,3-dimethylbutyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 129147241
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 83808287
1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
CID 162566787
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
3-[1-ethyl-5-(trifluoromethyl)indol-3-yl]propan-1-amine
CID 117120954
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171209520

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine (CID 53434374) is 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine is NCCCc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is SKNKZVIOLAPLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c11-9-4-3-8(10(12,13)14)6-7(9)2-1-5-15/h3-4,6H,1-2,5,15H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine?
3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 221.20 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 53434374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).