3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine

C10H10F4N2 — CID 166607942

IUPAC3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine
SMILESNC1(c2ccc(F)cc2C(F)(F)F)CNC1
InChIInChI=1S/C10H10F4N2/c11-6-1-2-7(9(15)4-16-5-9)8(3-6)10(12,13)14/h1-3,16H,4-5,15H2
InChIKeyVNHYQIXUBGQKPQ-UHFFFAOYSA-N
MW234.20 g/mol
LogP1.60
Rot. Bonds1

About 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine

3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine (PubChem CID 166607942) has the molecular formula C10H10F4N2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine.

Molecular Properties

Compound Name3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine
PubChem CID166607942
Molecular FormulaC10H10F4N2
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Name3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine
SMILESNC1(c2ccc(F)cc2C(F)(F)F)CNC1
InChIInChI=1S/C10H10F4N2/c11-6-1-2-7(9(15)4-16-5-9)8(3-6)10(12,13)14/h1-3,16H,4-5,15H2
InChIKeyVNHYQIXUBGQKPQ-UHFFFAOYSA-N
XLogP1.60
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine?
The IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine (CID 166607942) is 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine.
What is the SMILES notation for 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine?
The canonical SMILES for 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine is NC1(c2ccc(F)cc2C(F)(F)F)CNC1.
What is the InChIKey of 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine?
The InChIKey is VNHYQIXUBGQKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2/c11-6-1-2-7(9(15)4-16-5-9)8(3-6)10(12,13)14/h1-3,16H,4-5,15H2.
What are the key properties of 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine?
3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine has a molecular weight of 234.20 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine is sourced from PubChem (CID 166607942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).