1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine

C9H9ClF3N — CID 22612971

IUPAC1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-5H,14H2,1H3
InChIKeyVRJFJMHXALWFOQ-UHFFFAOYSA-N
MW223.63 g/mol
LogP3.38
Rot. Bonds1

About 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine

1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 22612971) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine
PubChem CID22612971
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC Name1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine
SMILESCC(N)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H9ClF3N/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-5H,14H2,1H3
InChIKeyVRJFJMHXALWFOQ-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine (CID 22612971) is 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine is CC(N)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is VRJFJMHXALWFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c1-5(14)7-3-2-6(10)4-8(7)9(11,12)13/h2-5H,14H2,1H3.
What are the key properties of 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine?
1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 223.63 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 22612971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).