2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole

C14H9FS — CID 144598627

IUPAC2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole
SMILESF/C=C/c1cc2cc3ccccc3cc2s1
InChIInChI=1S/C14H9FS/c15-6-5-13-8-12-7-10-3-1-2-4-11(10)9-14(12)16-13/h1-9H/b6-5+
InChIKeyMQHYQDROCYAXLL-AATRIKPKSA-N
MW228.29 g/mol
LogP4.99
Rot. Bonds1

About 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole

2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole (PubChem CID 144598627) has the molecular formula C14H9FS and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole.

Molecular Properties

Compound Name2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole
PubChem CID144598627
Molecular FormulaC14H9FS
Molecular Weight228.29 g/mol
Exact Mass228.04
IUPAC Name2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole
SMILESF/C=C/c1cc2cc3ccccc3cc2s1
InChIInChI=1S/C14H9FS/c15-6-5-13-8-12-7-10-3-1-2-4-11(10)9-14(12)16-13/h1-9H/b6-5+
InChIKeyMQHYQDROCYAXLL-AATRIKPKSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole?
The IUPAC name of 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole (CID 144598627) is 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole.
What is the SMILES notation for 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole?
The canonical SMILES for 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole is F/C=C/c1cc2cc3ccccc3cc2s1.
What is the InChIKey of 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole?
The InChIKey is MQHYQDROCYAXLL-AATRIKPKSA-N. The full InChI is InChI=1S/C14H9FS/c15-6-5-13-8-12-7-10-3-1-2-4-11(10)9-14(12)16-13/h1-9H/b6-5+.
What are the key properties of 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole?
2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole has a molecular weight of 228.29 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-fluoroethenyl]benzo[f][1]benzothiole is sourced from PubChem (CID 144598627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).