1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene

C14H12ClFOS — CID 47022832

IUPAC1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene
SMILESO=S(Cc1ccc(Cl)cc1)Cc1cccc(F)c1
InChIInChI=1S/C14H12ClFOS/c15-13-6-4-11(5-7-13)9-18(17)10-12-2-1-3-14(16)8-12/h1-8H,9-10H2
InChIKeyXATNYWZVMUGYAH-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.93
Rot. Bonds4

About 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene

1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene (PubChem CID 47022832) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene
PubChem CID47022832
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene
SMILESO=S(Cc1ccc(Cl)cc1)Cc1cccc(F)c1
InChIInChI=1S/C14H12ClFOS/c15-13-6-4-11(5-7-13)9-18(17)10-12-2-1-3-14(16)8-12/h1-8H,9-10H2
InChIKeyXATNYWZVMUGYAH-UHFFFAOYSA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene?
The IUPAC name of 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene (CID 47022832) is 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene.
What is the SMILES notation for 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene?
The canonical SMILES for 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene is O=S(Cc1ccc(Cl)cc1)Cc1cccc(F)c1.
What is the InChIKey of 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene?
The InChIKey is XATNYWZVMUGYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c15-13-6-4-11(5-7-13)9-18(17)10-12-2-1-3-14(16)8-12/h1-8H,9-10H2.
What are the key properties of 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene?
1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene has a molecular weight of 282.77 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methylsulfinylmethyl]-3-fluorobenzene is sourced from PubChem (CID 47022832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).