1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene

C14H11FS — CID 154722087

IUPAC1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene
SMILESFc1ccccc1S/C=C/c1ccccc1
InChIInChI=1S/C14H11FS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyRWMCFFLNJGBXCT-ZHACJKMWSA-N
MW230.31 g/mol
LogP4.59
Rot. Bonds3

About 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene

1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene (PubChem CID 154722087) has the molecular formula C14H11FS and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene
PubChem CID154722087
Molecular FormulaC14H11FS
Molecular Weight230.31 g/mol
Exact Mass230.06
IUPAC Name1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene
SMILESFc1ccccc1S/C=C/c1ccccc1
InChIInChI=1S/C14H11FS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-11H/b11-10+
InChIKeyRWMCFFLNJGBXCT-ZHACJKMWSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene?
The IUPAC name of 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene (CID 154722087) is 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene.
What is the SMILES notation for 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene?
The canonical SMILES for 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene is Fc1ccccc1S/C=C/c1ccccc1.
What is the InChIKey of 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene?
The InChIKey is RWMCFFLNJGBXCT-ZHACJKMWSA-N. The full InChI is InChI=1S/C14H11FS/c15-13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-11H/b11-10+.
What are the key properties of 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene?
1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene has a molecular weight of 230.31 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(E)-2-phenylethenyl]sulfanylbenzene is sourced from PubChem (CID 154722087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).