[4-(benzenesulfinyl)-4,4-difluorobutyl]benzene

C16H16F2OS — CID 150465846

IUPAC[4-(benzenesulfinyl)-4,4-difluorobutyl]benzene
SMILESO=S(c1ccccc1)C(F)(F)CCCc1ccccc1
InChIInChI=1S/C16H16F2OS/c17-16(18,20(19)15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2
InChIKeyHQTIUUSIPLZRMB-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.41
Rot. Bonds6

About [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene

[4-(benzenesulfinyl)-4,4-difluorobutyl]benzene (PubChem CID 150465846) has the molecular formula C16H16F2OS and a molecular weight of 294.37 g/mol. Its IUPAC name is [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene.

Molecular Properties

Compound Name[4-(benzenesulfinyl)-4,4-difluorobutyl]benzene
PubChem CID150465846
Molecular FormulaC16H16F2OS
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name[4-(benzenesulfinyl)-4,4-difluorobutyl]benzene
SMILESO=S(c1ccccc1)C(F)(F)CCCc1ccccc1
InChIInChI=1S/C16H16F2OS/c17-16(18,20(19)15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2
InChIKeyHQTIUUSIPLZRMB-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene?
The IUPAC name of [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene (CID 150465846) is [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene.
What is the SMILES notation for [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene?
The canonical SMILES for [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene is O=S(c1ccccc1)C(F)(F)CCCc1ccccc1.
What is the InChIKey of [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene?
The InChIKey is HQTIUUSIPLZRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2OS/c17-16(18,20(19)15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-6,8-9,11-12H,7,10,13H2.
What are the key properties of [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene?
[4-(benzenesulfinyl)-4,4-difluorobutyl]benzene has a molecular weight of 294.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfinyl)-4,4-difluorobutyl]benzene is sourced from PubChem (CID 150465846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).