1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine

C9H9F4N — CID 18543670

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F4N/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5H,14H2,1H3
InChIKeyFYARORXHFRMUIC-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.86
Rot. Bonds1

About 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine

1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 18543670) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
PubChem CID18543670
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F4N/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5H,14H2,1H3
InChIKeyFYARORXHFRMUIC-UHFFFAOYSA-N
XLogP2.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine (CID 18543670) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine is CC(N)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is FYARORXHFRMUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-5H,14H2,1H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 18543670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).