1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene

C15H15FOS — CID 63791578

IUPAC1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CS(=O)c2ccccc2F)c1
InChIInChI=1S/C15H15FOS/c1-11-7-12(2)9-13(8-11)10-18(17)15-6-4-3-5-14(15)16/h3-9H,10H2,1-2H3
InChIKeyWLZMNRWSYCAMDK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.75
Rot. Bonds3

About 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene

1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene (PubChem CID 63791578) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene.

Molecular Properties

Compound Name1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
PubChem CID63791578
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene
SMILESCc1cc(C)cc(CS(=O)c2ccccc2F)c1
InChIInChI=1S/C15H15FOS/c1-11-7-12(2)9-13(8-11)10-18(17)15-6-4-3-5-14(15)16/h3-9H,10H2,1-2H3
InChIKeyWLZMNRWSYCAMDK-UHFFFAOYSA-N
XLogP3.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64717305
1-fluoro-2-(methoxymethylsulfinyl)benzene
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4-[(3,4-dimethylphenyl)methylsulfinyl]-3-fluoroaniline
CID 81192692
1-(3,4-dimethylphenyl)-2-(2-fluorophenyl)sulfinylethanone
CID 64637654
2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 61302612
5-[(2-fluorophenyl)sulfinylmethyl]-3-methylfuran-2-carboxylic acid
CID 61301768
3-fluoro-2-[(2-fluorophenyl)sulfinylmethyl]aniline
CID 55201728
[2-fluoro-3-[(2-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 107120145
methyl 2-[2-[(2-fluorophenyl)sulfinylmethyl]phenyl]acetate
CID 115463232
3-[(2-fluorophenyl)sulfinylmethyl]-6-methoxypyridazine
CID 114268884

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene?
The IUPAC name of 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene (CID 63791578) is 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene.
What is the SMILES notation for 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene?
The canonical SMILES for 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene is Cc1cc(C)cc(CS(=O)c2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene?
The InChIKey is WLZMNRWSYCAMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-11-7-12(2)9-13(8-11)10-18(17)15-6-4-3-5-14(15)16/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene?
1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene has a molecular weight of 262.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)sulfinylmethyl]-3,5-dimethylbenzene is sourced from PubChem (CID 63791578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).