(3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

C16H12F4N2O — CID 124503659

IUPAC(3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F
InChIInChI=1S/C16H12F4N2O/c17-12-7-2-1-6-11(12)14-13(21)15(23)22(14)10-5-3-4-9(8-10)16(18,19)20/h1-8,13-14H,21H2/t13-,14+/m0/s1
InChIKeyROKHSQSYZOFPDX-UONOGXRCSA-N
MW324.28 g/mol
LogP3.26
Rot. Bonds2

About (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

(3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 124503659) has the molecular formula C16H12F4N2O and a molecular weight of 324.28 g/mol. Its IUPAC name is (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID124503659
Molecular FormulaC16H12F4N2O
Molecular Weight324.28 g/mol
Exact Mass324.09
IUPAC Name(3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESN[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F
InChIInChI=1S/C16H12F4N2O/c17-12-7-2-1-6-11(12)14-13(21)15(23)22(14)10-5-3-4-9(8-10)16(18,19)20/h1-8,13-14H,21H2/t13-,14+/m0/s1
InChIKeyROKHSQSYZOFPDX-UONOGXRCSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.28
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536951
(3S,4R)-3-amino-4-(3-chlorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503651
(3R,4R)-3-amino-4-(2-fluorophenyl)-1-(4-methylphenyl)azetidin-2-one
CID 124503605
(3S,4S)-3-amino-1-(1,3-benzodioxol-5-yl)-4-(2-fluorophenyl)azetidin-2-one
CID 124503716
(3R,4R)-3-amino-4-(1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503645
3-amino-4-(2-chlorophenyl)-1-(3-fluorophenyl)azetidin-2-one
CID 102536978
3-(2-fluorophenyl)-2-phenyl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 3850371
3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 102536933
(3S,4S)-3-amino-1-(3-methylphenyl)-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
CID 124503570
3-acetyl-2-(2-fluorophenyl)-4-hydroxy-1-[3-(trifluoromethyl)phenyl]-2H-pyrrol-5-one
CID 2868328
(3R,4S)-3-amino-1-(4-ethoxyphenyl)-4-(2-fluorophenyl)azetidin-2-one
CID 124504219
(3S,4R)-3-amino-4-(2,4-dichlorophenyl)-1-phenylazetidin-2-one
CID 124503517

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one (CID 124503659) is (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one is N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F.
What is the InChIKey of (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is ROKHSQSYZOFPDX-UONOGXRCSA-N. The full InChI is InChI=1S/C16H12F4N2O/c17-12-7-2-1-6-11(12)14-13(21)15(23)22(14)10-5-3-4-9(8-10)16(18,19)20/h1-8,13-14H,21H2/t13-,14+/m0/s1.
What are the key properties of (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
(3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 324.28 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-4-(2-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 124503659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).