1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene

C14H12ClFOS — CID 47022772

IUPAC1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene
SMILESO=S(Cc1ccccc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H12ClFOS/c15-14-8-13(16)7-6-12(14)10-18(17)9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyQGPDUVLTYPVLEP-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.93
Rot. Bonds4

About 1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene

1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene (PubChem CID 47022772) has the molecular formula C14H12ClFOS and a molecular weight of 282.77 g/mol. Its IUPAC name is 1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene.

Molecular Properties

Compound Name1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene
PubChem CID47022772
Molecular FormulaC14H12ClFOS
Molecular Weight282.77 g/mol
Exact Mass282.03
IUPAC Name1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene
SMILESO=S(Cc1ccccc1)Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H12ClFOS/c15-14-8-13(16)7-6-12(14)10-18(17)9-11-4-2-1-3-5-11/h1-8H,9-10H2
InChIKeyQGPDUVLTYPVLEP-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-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene?
The IUPAC name of 1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene (CID 47022772) is 1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene.
What is the SMILES notation for 1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene?
The canonical SMILES for 1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene is O=S(Cc1ccccc1)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene?
The InChIKey is QGPDUVLTYPVLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFOS/c15-14-8-13(16)7-6-12(14)10-18(17)9-11-4-2-1-3-5-11/h1-8H,9-10H2.
What are the key properties of 1-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene?
1-(benzylsulfinylmethyl)-2-chloro-4-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-(benzylsulfinylmethyl)-2-chloro-4-fluorobenzene is sourced from PubChem (CID 47022772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).