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

C11H10F6N2 — CID 166607895

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2C(F)(F)F)CNC1
InChIInChI=1S/C11H10F6N2/c12-10(13,14)6-1-2-7(9(18)4-19-5-9)8(3-6)11(15,16)17/h1-3,19H,4-5,18H2
InChIKeyAZUMGOFXEVEODT-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.48
Rot. Bonds1

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

3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine (PubChem CID 166607895) has the molecular formula C11H10F6N2 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine
PubChem CID166607895
Molecular FormulaC11H10F6N2
Molecular Weight284.20 g/mol
Exact Mass284.07
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine
SMILESNC1(c2ccc(C(F)(F)F)cc2C(F)(F)F)CNC1
InChIInChI=1S/C11H10F6N2/c12-10(13,14)6-1-2-7(9(18)4-19-5-9)8(3-6)11(15,16)17/h1-3,19H,4-5,18H2
InChIKeyAZUMGOFXEVEODT-UHFFFAOYSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-fluoro-2-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607942
3-[2-fluoro-4-(trifluoromethyl)phenyl]azetidin-3-amine
CID 166607944
3-[2-methyl-4-(trifluoromethyl)phenyl]azetidin-3-ol
CID 103863134
4,4-dimethyl-1-[2-methyl-4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 102752194
1-[2,4-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 138110947
1-[2-fluoro-4-(trifluoromethyl)phenyl]cyclobutan-1-amine
CID 117337426
2-(1-aminocyclobutyl)-4-(trifluoromethyl)phenol
CID 117333734
1-[2-methoxy-4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 84794185
3-(5-fluoro-2-methylphenyl)azetidin-3-amine;hydrochloride
CID 166607949
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512665
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
(3R)-3-amino-2-oxo-6-(trifluoromethyl)-1H-indole-3-carboxylic acid
CID 131872457

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine (CID 166607895) is 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine is NC1(c2ccc(C(F)(F)F)cc2C(F)(F)F)CNC1.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine?
The InChIKey is AZUMGOFXEVEODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2/c12-10(13,14)6-1-2-7(9(18)4-19-5-9)8(3-6)11(15,16)17/h1-3,19H,4-5,18H2.
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine?
3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine has a molecular weight of 284.20 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(trifluoromethyl)phenyl]azetidin-3-amine is sourced from PubChem (CID 166607895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).