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

C16H12F2S — CID 66729830

IUPAC[2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene
SMILESFC=C(SC(=CF)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12F2S/c17-11-15(13-7-3-1-4-8-13)19-16(12-18)14-9-5-2-6-10-14/h1-12H
InChIKeyRONSXMRTLJWJBC-UHFFFAOYSA-N
MW274.34 g/mol
LogP5.66
Rot. Bonds4

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

[2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene (PubChem CID 66729830) has the molecular formula C16H12F2S and a molecular weight of 274.34 g/mol. Its IUPAC name is [2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene.

Molecular Properties

Compound Name[2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene
PubChem CID66729830
Molecular FormulaC16H12F2S
Molecular Weight274.34 g/mol
Exact Mass274.06
IUPAC Name[2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene
SMILESFC=C(SC(=CF)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12F2S/c17-11-15(13-7-3-1-4-8-13)19-16(12-18)14-9-5-2-6-10-14/h1-12H
InChIKeyRONSXMRTLJWJBC-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

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene?
The IUPAC name of [2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene (CID 66729830) is [2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene.
What is the SMILES notation for [2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene?
The canonical SMILES for [2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene is FC=C(SC(=CF)c1ccccc1)c1ccccc1.
What is the InChIKey of [2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene?
The InChIKey is RONSXMRTLJWJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2S/c17-11-15(13-7-3-1-4-8-13)19-16(12-18)14-9-5-2-6-10-14/h1-12H.
What are the key properties of [2-fluoro-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene?
[2-fluoro-1-(2-fluoro-1-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-1-(2-fluoro-1-phenylethenyl)sulfanylethenyl]benzene is sourced from PubChem (CID 66729830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).