1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one

C15H11ClF2OS — CID 115983515

IUPAC1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1cccc(F)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H11ClF2OS/c16-15-10(3-1-6-14(15)18)7-12(19)9-20-13-5-2-4-11(17)8-13/h1-6,8H,7,9H2
InChIKeyVMFKFEGUONSCRR-UHFFFAOYSA-N
MW312.77 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one

1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one (PubChem CID 115983515) has the molecular formula C15H11ClF2OS and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
PubChem CID115983515
Molecular FormulaC15H11ClF2OS
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1cccc(F)c1)Cc1cccc(F)c1Cl
InChIInChI=1S/C15H11ClF2OS/c16-15-10(3-1-6-14(15)18)7-12(19)9-20-13-5-2-4-11(17)8-13/h1-6,8H,7,9H2
InChIKeyVMFKFEGUONSCRR-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)sulfanyl-3-(2-chloro-3-fluorophenyl)propan-2-one
CID 115983513
1-(4-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66070184
1-(2-fluoro-3-methoxyphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 104793473
1-(4-chloro-2-fluorophenyl)-3-(3-chlorophenyl)sulfanylpropan-2-one
CID 114854003
1-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 102857203
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(3,4-dimethylphenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one
CID 66072049
1-(3-chlorophenyl)sulfanyl-3-(4-fluorophenyl)propan-2-one
CID 62646475
1-(3-fluorophenyl)sulfanyl-4-methylidenehexan-2-one
CID 66072466
1-(4-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-one
CID 114853895
1-(3-chlorophenyl)sulfanyl-3-(3,4-difluorophenyl)propan-2-one
CID 82920301
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 66144716

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one (CID 115983515) is 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one is O=C(CSc1cccc(F)c1)Cc1cccc(F)c1Cl.
What is the InChIKey of 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is VMFKFEGUONSCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2OS/c16-15-10(3-1-6-14(15)18)7-12(19)9-20-13-5-2-4-11(17)8-13/h1-6,8H,7,9H2.
What are the key properties of 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one?
1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one has a molecular weight of 312.77 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-fluorophenyl)-3-(3-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 115983515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).