1-(2-fluorophenyl)sulfanyl-9H-xanthene

C19H13FOS — CID 174968381

IUPAC1-(2-fluorophenyl)sulfanyl-9H-xanthene
SMILESFc1ccccc1Sc1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C19H13FOS/c20-15-7-2-4-10-19(15)22-18-11-5-9-17-14(18)12-13-6-1-3-8-16(13)21-17/h1-11H,12H2
InChIKeyXBCWZKSCDSWYGH-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.67
Rot. Bonds2

About 1-(2-fluorophenyl)sulfanyl-9H-xanthene

1-(2-fluorophenyl)sulfanyl-9H-xanthene (PubChem CID 174968381) has the molecular formula C19H13FOS and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanyl-9H-xanthene.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanyl-9H-xanthene
PubChem CID174968381
Molecular FormulaC19H13FOS
Molecular Weight308.38 g/mol
Exact Mass308.07
IUPAC Name1-(2-fluorophenyl)sulfanyl-9H-xanthene
SMILESFc1ccccc1Sc1cccc2c1Cc1ccccc1O2
InChIInChI=1S/C19H13FOS/c20-15-7-2-4-10-19(15)22-18-11-5-9-17-14(18)12-13-6-1-3-8-16(13)21-17/h1-11H,12H2
InChIKeyXBCWZKSCDSWYGH-UHFFFAOYSA-N
XLogP5.67
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 ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanyl-9H-xanthene?
The IUPAC name of 1-(2-fluorophenyl)sulfanyl-9H-xanthene (CID 174968381) is 1-(2-fluorophenyl)sulfanyl-9H-xanthene.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanyl-9H-xanthene?
The canonical SMILES for 1-(2-fluorophenyl)sulfanyl-9H-xanthene is Fc1ccccc1Sc1cccc2c1Cc1ccccc1O2.
What is the InChIKey of 1-(2-fluorophenyl)sulfanyl-9H-xanthene?
The InChIKey is XBCWZKSCDSWYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FOS/c20-15-7-2-4-10-19(15)22-18-11-5-9-17-14(18)12-13-6-1-3-8-16(13)21-17/h1-11H,12H2.
What are the key properties of 1-(2-fluorophenyl)sulfanyl-9H-xanthene?
1-(2-fluorophenyl)sulfanyl-9H-xanthene has a molecular weight of 308.38 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanyl-9H-xanthene is sourced from PubChem (CID 174968381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).