1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene

C13H9ClF2OS — CID 102862309

IUPAC1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1cccc(Cl)c1F)c1ccccc1F
InChIInChI=1S/C13H9ClF2OS/c14-10-5-3-4-9(13(10)16)8-18(17)12-7-2-1-6-11(12)15/h1-7H,8H2
InChIKeyUNELXSSMHCKAEW-UHFFFAOYSA-N
MW286.73 g/mol
LogP3.93
Rot. Bonds3

About 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene

1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene (PubChem CID 102862309) has the molecular formula C13H9ClF2OS and a molecular weight of 286.73 g/mol. Its IUPAC name is 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene
PubChem CID102862309
Molecular FormulaC13H9ClF2OS
Molecular Weight286.73 g/mol
Exact Mass286.00
IUPAC Name1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1cccc(Cl)c1F)c1ccccc1F
InChIInChI=1S/C13H9ClF2OS/c14-10-5-3-4-9(13(10)16)8-18(17)12-7-2-1-6-11(12)15/h1-7H,8H2
InChIKeyUNELXSSMHCKAEW-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.73
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 107120145
2-[(3-chloro-2-fluorophenyl)methylsulfinyl]-5-fluoroaniline
CID 102864583
2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 61302612
4-bromo-2-[(3-chloro-2-fluorophenyl)methylsulfinyl]aniline
CID 102864649
3-[(3-chloro-2-fluorophenyl)methylsulfinyl]propan-1-amine
CID 102864618
4-chloro-3-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655124
methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate
CID 115463232
3-fluoro-2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 55201728
4-chloro-2-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655093
3-[(2-chlorophenyl)methylsulfinylmethyl]-2-fluoroaniline
CID 107350497
5-bromo-2-[(2-chloro-3-fluorophenyl)methylsulfinyl]aniline
CID 112655098
[2-[(2-chlorophenyl)sulfinylmethyl]-5-fluorophenyl]methanamine
CID 81329605

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene?
The IUPAC name of 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene (CID 102862309) is 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene is O=S(Cc1cccc(Cl)c1F)c1ccccc1F.
What is the InChIKey of 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene?
The InChIKey is UNELXSSMHCKAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2OS/c14-10-5-3-4-9(13(10)16)8-18(17)12-7-2-1-6-11(12)15/h1-7H,8H2.
What are the key properties of 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene?
1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene has a molecular weight of 286.73 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]benzene is sourced from PubChem (CID 102862309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).