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

C10H10F4N2 — CID 166607944

IUPAC3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2F)CNC1
InChIInChI=1S/C10H10F4N2/c11-8-3-6(10(12,13)14)1-2-7(8)9(15)4-16-5-9/h1-3,16H,4-5,15H2
InChIKeyVZYFNUJUOHFOFU-UHFFFAOYSA-N
MW234.20 g/mol
LogP1.60
Rot. Bonds1

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

3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine (PubChem CID 166607944) has the molecular formula C10H10F4N2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine.

Molecular Properties

Compound Name3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine
PubChem CID166607944
Molecular FormulaC10H10F4N2
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Name3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2F)CNC1
InChIInChI=1S/C10H10F4N2/c11-8-3-6(10(12,13)14)1-2-7(8)9(15)4-16-5-9/h1-3,16H,4-5,15H2
InChIKeyVZYFNUJUOHFOFU-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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Related Compounds

3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607895
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607942
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
2-fluoro-1-(1-prop-1-en-2-ylcyclopropyl)-4-(trifluoromethyl)benzene
CID 135178558
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734
3-(2,3,5-trifluorophenyl)azetidin-3-amine;hydrochloride
CID 166608984
4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102752194
1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 84794185
3-(4-chloro-2-methylphenyl)azetidin-3-amine
CID 166608774
6-(trifluoromethyl)spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 76848698
3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607949

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine?
The IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine (CID 166607944) is 3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine.
What is the SMILES notation for 3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine?
The canonical SMILES for 3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine is NC1(c2ccc(C(F)(F)F)cc2F)CNC1.
What is the InChIKey of 3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine?
The InChIKey is VZYFNUJUOHFOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2/c11-8-3-6(10(12,13)14)1-2-7(8)9(15)4-16-5-9/h1-3,16H,4-5,15H2.
What are the key properties of 3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine?
3-[2-fluoro-4-(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-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine is sourced from PubChem (CID 166607944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).