1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine

C10H11F4N — CID 130023004

IUPAC1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H11F4N/c1-6(15-2)8-4-3-7(5-9(8)11)10(12,13)14/h3-6,15H,1-2H3
InChIKeyPDEMFFRGJUZSTP-UHFFFAOYSA-N
MW221.20 g/mol
LogP3.12
Rot. Bonds2

About 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine

1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine (PubChem CID 130023004) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
PubChem CID130023004
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine
SMILESCNC(C)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C10H11F4N/c1-6(15-2)8-4-3-7(5-9(8)11)10(12,13)14/h3-6,15H,1-2H3
InChIKeyPDEMFFRGJUZSTP-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine?
The IUPAC name of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine (CID 130023004) is 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine is CNC(C)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine?
The InChIKey is PDEMFFRGJUZSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-6(15-2)8-4-3-7(5-9(8)11)10(12,13)14/h3-6,15H,1-2H3.
What are the key properties of 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine?
1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine has a molecular weight of 221.20 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine is sourced from PubChem (CID 130023004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).