1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene

C15H15FOS — CID 64715017

IUPAC1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
SMILESCCc1ccc(CS(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FOS/c1-2-12-3-5-13(6-4-12)11-18(17)15-9-7-14(16)8-10-15/h3-10H,2,11H2,1H3
InChIKeyQNEJUWKLUKKPNY-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.70
Rot. Bonds4

About 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene

1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene (PubChem CID 64715017) has the molecular formula C15H15FOS and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
PubChem CID64715017
Molecular FormulaC15H15FOS
Molecular Weight262.35 g/mol
Exact Mass262.08
IUPAC Name1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
SMILESCCc1ccc(CS(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C15H15FOS/c1-2-12-3-5-13(6-4-12)11-18(17)15-9-7-14(16)8-10-15/h3-10H,2,11H2,1H3
InChIKeyQNEJUWKLUKKPNY-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene
CID 154330077
1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 63791219
1-[(S)-ethylsulfinyl]-4-fluorobenzene
CID 92979290
2-[(4-ethylphenyl)methylsulfinyl]-5-fluoroaniline
CID 81186273
CID 91872170
CID 91872170
3-[(4-fluorophenyl)sulfinylmethyl]thiophene
CID 64717751
1-tert-butyl-4-[(4-tert-butylphenyl)sulfinylmethyl]benzene
CID 102104954
1-ethyl-4-(4-fluorophenyl)benzene
CID 21432911
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
CID 78998480
1-(4-ethylphenyl)-2-(4-fluorophenyl)sulfinylpropan-1-one
CID 64635745
2-bromo-5-[(4-fluorophenyl)sulfinylmethyl]aniline
CID 113335459
carbon dioxide;1-ethyl-4-fluorobenzene;methanethiol
CID 142000064

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene?
The IUPAC name of 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene (CID 64715017) is 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene.
What is the SMILES notation for 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene?
The canonical SMILES for 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene is CCc1ccc(CS(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene?
The InChIKey is QNEJUWKLUKKPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FOS/c1-2-12-3-5-13(6-4-12)11-18(17)15-9-7-14(16)8-10-15/h3-10H,2,11H2,1H3.
What are the key properties of 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene?
1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene has a molecular weight of 262.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene is sourced from PubChem (CID 64715017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).