[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene

C16H14F4O2S — CID 141041544

IUPAC[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
SMILESO=S(=O)(C(F)(F)Cc1ccccc1)C(F)(F)Cc1ccccc1
InChIInChI=1S/C16H14F4O2S/c17-15(18,11-13-7-3-1-4-8-13)23(21,22)16(19,20)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyIFVIKVXRPNWDIU-UHFFFAOYSA-N
MW346.35 g/mol
LogP4.07
Rot. Bonds6

About [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene

[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene (PubChem CID 141041544) has the molecular formula C16H14F4O2S and a molecular weight of 346.35 g/mol. Its IUPAC name is [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene.

Molecular Properties

Compound Name[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
PubChem CID141041544
Molecular FormulaC16H14F4O2S
Molecular Weight346.35 g/mol
Exact Mass346.07
IUPAC Name[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene
SMILESO=S(=O)(C(F)(F)Cc1ccccc1)C(F)(F)Cc1ccccc1
InChIInChI=1S/C16H14F4O2S/c17-15(18,11-13-7-3-1-4-8-13)23(21,22)16(19,20)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyIFVIKVXRPNWDIU-UHFFFAOYSA-N
XLogP4.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
CID 70047843
(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
(2-fluoro-2-methylpropyl)benzene
CID 14343442
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
sulfuryl dichloride;3,3,3-trifluoropropylbenzene
CID 174656156
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate
CID 123161149
2,2-difluorobutylbenzene
CID 12695736
2-hydroxy-1,3-diphenylpropane-2-sulfonic acid
CID 103574168
(3-chloro-2,2,3-trifluoropropyl)benzene
CID 134892808
[3-(benzenesulfonyl)-3,3-difluoropropyl]benzene
CID 11335440

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene?
The IUPAC name of [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene (CID 141041544) is [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene.
What is the SMILES notation for [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene?
The canonical SMILES for [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene is O=S(=O)(C(F)(F)Cc1ccccc1)C(F)(F)Cc1ccccc1.
What is the InChIKey of [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene?
The InChIKey is IFVIKVXRPNWDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4O2S/c17-15(18,11-13-7-3-1-4-8-13)23(21,22)16(19,20)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene?
[2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene has a molecular weight of 346.35 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-difluoro-2-phenylethyl)sulfonyl-2,2-difluoroethyl]benzene is sourced from PubChem (CID 141041544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).