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

C16H12F2S — CID 66730141

IUPAC[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene
SMILESFC(=Cc1ccccc1)SC(F)=Cc1ccccc1
InChIInChI=1S/C16H12F2S/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-12H
InChIKeyCUURAAMFDUQYKL-UHFFFAOYSA-N
MW274.34 g/mol
LogP5.66
Rot. Bonds4

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

[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene (PubChem CID 66730141) has the molecular formula C16H12F2S and a molecular weight of 274.34 g/mol. Its IUPAC name is [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene.

Molecular Properties

Compound Name[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene
PubChem CID66730141
Molecular FormulaC16H12F2S
Molecular Weight274.34 g/mol
Exact Mass274.06
IUPAC Name[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene
SMILESFC(=Cc1ccccc1)SC(F)=Cc1ccccc1
InChIInChI=1S/C16H12F2S/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-12H
InChIKeyCUURAAMFDUQYKL-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.34
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]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

[(E)-2-fluoro-2-iodoethenyl]benzene
CID 11492511
CID 11750295
CID 11750295
2,2-difluoroethenylbenzene;1,1-difluoroprop-1-ene
CID 90783714
2-fluoro-3-phenylprop-2-enal
CID 54285949
1-bromo-4-(1-fluoro-2-phenylethenyl)benzene
CID 154707764
[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfinylethenyl]benzene
CID 68923226
[(1E)-3-fluoro-2-methylbuta-1,3-dienyl]benzene
CID 12586000
(E)-2-fluoro-3-phenylprop-2-enoate
CID 20564685
2-fluoroethenylbenzene;silane
CID 158885758
2,2-dibromo(113C)ethenylbenzene
CID 131856077
3-fluoro-1-phenylprop-1-en-2-ol
CID 172850528
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
CID 640491

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene?
The IUPAC name of [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene (CID 66730141) is [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene.
What is the SMILES notation for [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene?
The canonical SMILES for [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene is FC(=Cc1ccccc1)SC(F)=Cc1ccccc1.
What is the InChIKey of [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene?
The InChIKey is CUURAAMFDUQYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2S/c17-15(11-13-7-3-1-4-8-13)19-16(18)12-14-9-5-2-6-10-14/h1-12H.
What are the key properties of [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene?
[2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene has a molecular weight of 274.34 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-2-(1-fluoro-2-phenylethenyl)sulfanylethenyl]benzene is sourced from PubChem (CID 66730141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).