1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one

C15H11ClF2OS — CID 60976639

IUPAC1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1F)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11ClF2OS/c16-12-4-3-6-13(17)11(12)8-10(19)9-20-15-7-2-1-5-14(15)18/h1-7H,8-9H2
InChIKeyMKGLCSYUWIZIMX-UHFFFAOYSA-N
MW312.77 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one

1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one (PubChem CID 60976639) has the molecular formula C15H11ClF2OS and a molecular weight of 312.77 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
PubChem CID60976639
Molecular FormulaC15H11ClF2OS
Molecular Weight312.77 g/mol
Exact Mass312.02
IUPAC Name1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
SMILESO=C(CSc1ccccc1F)Cc1c(F)cccc1Cl
InChIInChI=1S/C15H11ClF2OS/c16-12-4-3-6-13(17)11(12)8-10(19)9-20-15-7-2-1-5-14(15)18/h1-7H,8-9H2
InChIKeyMKGLCSYUWIZIMX-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-(2,3-dichlorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 107307923
1-(2-chloro-6-fluorophenyl)-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 60975295
1-(2-bromophenyl)sulfanyl-3-(2,6-dichlorophenyl)propan-2-one
CID 66143656
1-(3-bromophenyl)sulfanyl-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 66144716
1-(2-chloro-6-fluorophenyl)-4-ethylhexan-2-one
CID 82920197
1-(3-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one
CID 66054204
1-(3-chloro-4-fluorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 103039415
1-(2-chloro-6-fluorophenyl)-3-(2,4-dichlorophenyl)propan-2-one
CID 63411519
5-chloro-1-(2-chloro-6-fluorophenyl)pentan-2-one
CID 66044445
1-(4-chlorophenyl)-3-(2-chlorophenyl)sulfanylpropan-2-one
CID 66140332
1-(2-chloro-6-fluorophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 61496497
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzoic acid
CID 4081214

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one (CID 60976639) is 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one is O=C(CSc1ccccc1F)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
The InChIKey is MKGLCSYUWIZIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClF2OS/c16-12-4-3-6-13(17)11(12)8-10(19)9-20-15-7-2-1-5-14(15)18/h1-7H,8-9H2.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one?
1-(2-chloro-6-fluorophenyl)-3-(2-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-6-fluorophenyl)-3-(2-fluorophenyl)sulfanylpropan-2-one is sourced from PubChem (CID 60976639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).