9-(2-fluorophenyl)sulfanyl-9H-xanthene

C19H13FOS — CID 147642978

IUPAC9-(2-fluorophenyl)sulfanyl-9H-xanthene
SMILESFc1ccccc1SC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H13FOS/c20-15-9-3-6-12-18(15)22-19-13-7-1-4-10-16(13)21-17-11-5-2-8-14(17)19/h1-12,19H
InChIKeyGHZLPSVYYWDEIV-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.81
Rot. Bonds2

About 9-(2-fluorophenyl)sulfanyl-9H-xanthene

9-(2-fluorophenyl)sulfanyl-9H-xanthene (PubChem CID 147642978) has the molecular formula C19H13FOS and a molecular weight of 308.38 g/mol. Its IUPAC name is 9-(2-fluorophenyl)sulfanyl-9H-xanthene.

Molecular Properties

Compound Name9-(2-fluorophenyl)sulfanyl-9H-xanthene
PubChem CID147642978
Molecular FormulaC19H13FOS
Molecular Weight308.38 g/mol
Exact Mass308.07
IUPAC Name9-(2-fluorophenyl)sulfanyl-9H-xanthene
SMILESFc1ccccc1SC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H13FOS/c20-15-9-3-6-12-18(15)22-19-13-7-1-4-10-16(13)21-17-11-5-2-8-14(17)19/h1-12,19H
InChIKeyGHZLPSVYYWDEIV-UHFFFAOYSA-N
XLogP5.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)sulfanyl-9H-xanthene?
The IUPAC name of 9-(2-fluorophenyl)sulfanyl-9H-xanthene (CID 147642978) is 9-(2-fluorophenyl)sulfanyl-9H-xanthene.
What is the SMILES notation for 9-(2-fluorophenyl)sulfanyl-9H-xanthene?
The canonical SMILES for 9-(2-fluorophenyl)sulfanyl-9H-xanthene is Fc1ccccc1SC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 9-(2-fluorophenyl)sulfanyl-9H-xanthene?
The InChIKey is GHZLPSVYYWDEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FOS/c20-15-9-3-6-12-18(15)22-19-13-7-1-4-10-16(13)21-17-11-5-2-8-14(17)19/h1-12,19H.
What are the key properties of 9-(2-fluorophenyl)sulfanyl-9H-xanthene?
9-(2-fluorophenyl)sulfanyl-9H-xanthene has a molecular weight of 308.38 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)sulfanyl-9H-xanthene is sourced from PubChem (CID 147642978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).