2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine

C10H11F4N — CID 83808287

IUPAC2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNCCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H11F4N/c1-15-5-4-7-6-8(10(12,13)14)2-3-9(7)11/h2-3,6,15H,4-5H2,1H3
InChIKeyOXZFKSFAAIXCFP-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.61
Rot. Bonds3

About 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine

2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine (PubChem CID 83808287) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
PubChem CID83808287
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNCCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H11F4N/c1-15-5-4-7-6-8(10(12,13)14)2-3-9(7)11/h2-3,6,15H,4-5H2,1H3
InChIKeyOXZFKSFAAIXCFP-UHFFFAOYSA-N
XLogP2.61
TPSA12.03 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-fluoro-5-(trifluoromethyl)phenyl]ethylhydrazine
CID 53402567
2-[2-(methylamino)ethyl]-5-(trifluoromethyl)aniline
CID 105472048
2-(3,3-dimethylbutyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 129147241
3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine
CID 83808880
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
CID 162566787
N-methyl-2-(2,4,5-trifluorophenyl)ethanamine
CID 84661887
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
2-(5-tert-butyl-2-methylphenyl)-N-methylethanamine
CID 82126383
2-bromo-N-[2-(2-fluorophenyl)ethyl]-4-(trifluoromethyl)aniline
CID 115511442
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine (CID 83808287) is 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine is CNCCc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine?
The InChIKey is OXZFKSFAAIXCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-15-5-4-7-6-8(10(12,13)14)2-3-9(7)11/h2-3,6,15H,4-5H2,1H3.
What are the key properties of 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine?
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine has a molecular weight of 221.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 83808287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).