[1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene

C16H12F2O2S — CID 67251826

IUPAC[1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene
SMILESO=S(=O)(C=C(F)c1ccccc1)C=C(F)c1ccccc1
InChIInChI=1S/C16H12F2O2S/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-12H
InChIKeySQUZXOCUQSGEQO-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.34
Rot. Bonds4

About [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene

[1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene (PubChem CID 67251826) has the molecular formula C16H12F2O2S and a molecular weight of 306.33 g/mol. Its IUPAC name is [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene.

Molecular Properties

Compound Name[1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene
PubChem CID67251826
Molecular FormulaC16H12F2O2S
Molecular Weight306.33 g/mol
Exact Mass306.05
IUPAC Name[1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene
SMILESO=S(=O)(C=C(F)c1ccccc1)C=C(F)c1ccccc1
InChIInChI=1S/C16H12F2O2S/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-12H
InChIKeySQUZXOCUQSGEQO-UHFFFAOYSA-N
XLogP4.34
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-fluoro-2-phenylethenesulfonyl chloride
CID 119031538
2-fluoro-2-phenylethenol
CID 141157476
1-(2-phenylbuta-1,3-dienylsulfonyl)buta-1,3-dien-2-ylbenzene
CID 154510274
1,3-dichloro-2-[(E)-2-fluoro-2-phenylethenyl]benzene
CID 175008181
benzoic acid;sulfuryl difluoride
CID 22153377
(E)-3-phenylprop-2-ene-1-sulfonyl fluoride
CID 87208395
[(Z)-1-fluoro-3-phenylprop-1-enyl]benzene
CID 15892618
[2-(benzenesulfonyl)-1-phenylethenyl]benzene
CID 822356
benzoyl fluoride;tetrahydrofluoride
CID 139728839
(Z)-2-methylsulfonyl-1-phenylethenamine
CID 13299506
benzoic acid;zirconium
CID 173089080
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505

Frequently Asked Questions

What is the IUPAC name of [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene?
The IUPAC name of [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene (CID 67251826) is [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene.
What is the SMILES notation for [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene?
The canonical SMILES for [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene is O=S(=O)(C=C(F)c1ccccc1)C=C(F)c1ccccc1.
What is the InChIKey of [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene?
The InChIKey is SQUZXOCUQSGEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2O2S/c17-15(13-7-3-1-4-8-13)11-21(19,20)12-16(18)14-9-5-2-6-10-14/h1-12H.
What are the key properties of [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene?
[1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene has a molecular weight of 306.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-fluoro-2-(2-fluoro-2-phenylethenyl)sulfonylethenyl]benzene is sourced from PubChem (CID 67251826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).