1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene

C15H14F2O2S — CID 99832944

IUPAC1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene
SMILESCOc1ccc(CC[S@](=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H14F2O2S/c1-19-12-4-2-11(3-5-12)8-9-20(18)13-6-7-14(16)15(17)10-13/h2-7,10H,8-9H2,1H3/t20-/m0/s1
InChIKeyGFMHMBLJHRBVND-FQEVSTJZSA-N
MW296.34 g/mol
LogP3.32
Rot. Bonds5

About 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene

1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene (PubChem CID 99832944) has the molecular formula C15H14F2O2S and a molecular weight of 296.34 g/mol. Its IUPAC name is 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene
PubChem CID99832944
Molecular FormulaC15H14F2O2S
Molecular Weight296.34 g/mol
Exact Mass296.07
IUPAC Name1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene
SMILESCOc1ccc(CC[S@](=O)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C15H14F2O2S/c1-19-12-4-2-11(3-5-12)8-9-20(18)13-6-7-14(16)15(17)10-13/h2-7,10H,8-9H2,1H3/t20-/m0/s1
InChIKeyGFMHMBLJHRBVND-FQEVSTJZSA-N
XLogP3.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 81191169
3,5-difluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 65445923
3-fluoro-4-[2-(4-methoxyphenyl)ethylsulfinyl]aniline
CID 81192156
2-fluoro-4-[2-(4-methoxyphenoxy)ethylsulfinyl]aniline
CID 81192299
3-[(3,4-difluorophenyl)sulfinylmethyl]-5-methoxyaniline
CID 81155187
5-(3,4-difluorophenyl)sulfinylpentan-1-amine
CID 81328253
1-(4-fluoro-3-methoxyphenyl)-3-(4-methoxyphenyl)propan-1-one
CID 114974368
2-(3-chloro-4-fluorophenyl)sulfinyl-1-(4-methoxyphenyl)ethanamine
CID 115477299
3-(3,4-difluorophenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 39089240
2-fluoro-4-[(2-fluoro-4-methoxyphenyl)methylsulfinyl]aniline
CID 102879980
2-(3,4-difluorophenyl)ethanesulfinic acid
CID 69424643
1,2,4-trifluoro-5-[(E)-2-[(4-methoxyphenyl)methylsulfinyl]ethenyl]benzene
CID 11472839

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene?
The IUPAC name of 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene (CID 99832944) is 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene is COc1ccc(CC[S@](=O)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene?
The InChIKey is GFMHMBLJHRBVND-FQEVSTJZSA-N. The full InChI is InChI=1S/C15H14F2O2S/c1-19-12-4-2-11(3-5-12)8-9-20(18)13-6-7-14(16)15(17)10-13/h2-7,10H,8-9H2,1H3/t20-/m0/s1.
What are the key properties of 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene?
1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene has a molecular weight of 296.34 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[(S)-2-(4-methoxyphenyl)ethylsulfinyl]benzene is sourced from PubChem (CID 99832944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).