(4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one

C17H12F5NO — CID 7742119

IUPAC(4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(F)F
InChIInChI=1S/C17H12F5NO/c18-16(19)14(12-6-8-13(9-7-12)17(20,21)22)23(15(16)24)10-11-4-2-1-3-5-11/h1-9,14H,10H2/t14-/m1/s1
InChIKeyCDVRSMZGLWUNTM-CQSZACIVSA-N
MW341.28 g/mol
LogP4.42
Rot. Bonds3

About (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one

(4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 7742119) has the molecular formula C17H12F5NO and a molecular weight of 341.28 g/mol. Its IUPAC name is (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID7742119
Molecular FormulaC17H12F5NO
Molecular Weight341.28 g/mol
Exact Mass341.08
IUPAC Name(4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1N(Cc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(F)F
InChIInChI=1S/C17H12F5NO/c18-16(19)14(12-6-8-13(9-7-12)17(20,21)22)23(15(16)24)10-11-4-2-1-3-5-11/h1-9,14H,10H2/t14-/m1/s1
InChIKeyCDVRSMZGLWUNTM-CQSZACIVSA-N
XLogP4.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one (CID 7742119) is (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one is O=C1N(Cc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C1(F)F.
What is the InChIKey of (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is CDVRSMZGLWUNTM-CQSZACIVSA-N. The full InChI is InChI=1S/C17H12F5NO/c18-16(19)14(12-6-8-13(9-7-12)17(20,21)22)23(15(16)24)10-11-4-2-1-3-5-11/h1-9,14H,10H2/t14-/m1/s1.
What are the key properties of (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one?
(4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 341.28 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-benzyl-3,3-difluoro-4-[4-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 7742119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).