(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one

C16H9ClF5NO — CID 2314294

IUPAC(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C16H9ClF5NO/c17-11-6-4-9(5-7-11)13-15(18,19)14(24)23(13)12-3-1-2-10(8-12)16(20,21)22/h1-8,13H/t13-/m0/s1
InChIKeyBIWRWMNDNGIRRV-ZDUSSCGKSA-N
MW361.70 g/mol
LogP5.08
Rot. Bonds2

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

(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one (PubChem CID 2314294) has the molecular formula C16H9ClF5NO and a molecular weight of 361.70 g/mol. Its IUPAC name is (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one.

Molecular Properties

Compound Name(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
PubChem CID2314294
Molecular FormulaC16H9ClF5NO
Molecular Weight361.70 g/mol
Exact Mass361.03
IUPAC Name(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one
SMILESO=C1N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1(F)F
InChIInChI=1S/C16H9ClF5NO/c17-11-6-4-9(5-7-11)13-15(18,19)14(24)23(13)12-3-1-2-10(8-12)16(20,21)22/h1-8,13H/t13-/m0/s1
InChIKeyBIWRWMNDNGIRRV-ZDUSSCGKSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.70
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoro-1-(4-methylphenyl)-4-phenylazetidin-2-one
CID 5062275
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]-N-heptylacetamide
CID 71584046
1-(4-chlorobenzyl)-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
CID 1474990
5-(4-chlorophenyl)-4-methyl-1-[3-(trifluoromethyl)phenyl]-1,5-dihydro-2H-pyrrol-2-one
CID 2936400
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-methyl-N-phenylacetamide
CID 168292374
2-(4-Chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 694711
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpropanamide
CID 756374
N-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)prop-2-enamide
CID 177379533
3-Chloro-1,4-diphenylazetidin-2-one
CID 12281412
3-Chloro-1-(4-chlorophenyl)-4-phenylazetidin-2-one
CID 12897123
3-Chloro-4-(4-chlorophenyl)-1-phenylazetidin-2-one
CID 14337347
3-Chloro-4-(4-chlorophenyl)-1-(4-iodophenyl)azetidin-2-one
CID 72544621

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The IUPAC name of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one (CID 2314294) is (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one.
What is the SMILES notation for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The canonical SMILES for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one is O=C1N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)cc2)C1(F)F.
What is the InChIKey of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
The InChIKey is BIWRWMNDNGIRRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H9ClF5NO/c17-11-6-4-9(5-7-11)13-15(18,19)14(24)23(13)12-3-1-2-10(8-12)16(20,21)22/h1-8,13H/t13-/m0/s1.
What are the key properties of (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one?
(4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one has a molecular weight of 361.70 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(4-chlorophenyl)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]azetidin-2-one is sourced from PubChem (CID 2314294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).