1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene

C14H13FOS — CID 132500103

IUPAC1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
SMILESCOc1ccc(CSc2ccccc2F)cc1
InChIInChI=1S/C14H13FOS/c1-16-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3
InChIKeyQDCHLXBFBDJSEW-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.13
Rot. Bonds4

About 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene

1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene (PubChem CID 132500103) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
PubChem CID132500103
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene
SMILESCOc1ccc(CSc2ccccc2F)cc1
InChIInChI=1S/C14H13FOS/c1-16-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3
InChIKeyQDCHLXBFBDJSEW-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-methoxy-4-[(2-methylphenyl)sulfanylmethyl]benzene
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2-[(2-fluorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
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1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
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5-[(2-fluorophenyl)sulfanylmethyl]-2-methoxybenzenecarboximidamide
CID 65340206
N-(2-benzylsulfanylphenyl)-1-(4-methoxyphenyl)methanimine
CID 15326220
1-bromo-4-methoxy-2-[(4-methoxyphenyl)methylsulfanyl]benzene
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1-fluoro-2-[(4-methoxyphenyl)methoxymethyl]benzene
CID 145304623
1-(2-fluorophenyl)-3-(4-methoxyphenyl)propan-2-ol
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1-fluoro-4-[(4-methoxyphenyl)methylsulfanylmethyl]benzene
CID 59882027

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The IUPAC name of 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene (CID 132500103) is 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene is COc1ccc(CSc2ccccc2F)cc1.
What is the InChIKey of 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
The InChIKey is QDCHLXBFBDJSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-16-12-8-6-11(7-9-12)10-17-14-5-3-2-4-13(14)15/h2-9H,10H2,1H3.
What are the key properties of 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene?
1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene has a molecular weight of 248.32 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(4-methoxyphenyl)methylsulfanyl]benzene is sourced from PubChem (CID 132500103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).