2-(2-fluorophenyl)benzo[h]chromene-4-thione

C19H11FOS — CID 155558908

IUPAC2-(2-fluorophenyl)benzo[h]chromene-4-thione
SMILESFc1ccccc1-c1cc(=S)c2ccc3ccccc3c2o1
InChIInChI=1S/C19H11FOS/c20-16-8-4-3-7-14(16)17-11-18(22)15-10-9-12-5-1-2-6-13(12)19(15)21-17/h1-11H
InChIKeyMFVYFWGKEIXBEP-UHFFFAOYSA-N
MW306.36 g/mol
LogP6.12
Rot. Bonds1

About 2-(2-fluorophenyl)benzo[h]chromene-4-thione

2-(2-fluorophenyl)benzo[h]chromene-4-thione (PubChem CID 155558908) has the molecular formula C19H11FOS and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)benzo[h]chromene-4-thione.

Molecular Properties

Compound Name2-(2-fluorophenyl)benzo[h]chromene-4-thione
PubChem CID155558908
Molecular FormulaC19H11FOS
Molecular Weight306.36 g/mol
Exact Mass306.05
IUPAC Name2-(2-fluorophenyl)benzo[h]chromene-4-thione
SMILESFc1ccccc1-c1cc(=S)c2ccc3ccccc3c2o1
InChIInChI=1S/C19H11FOS/c20-16-8-4-3-7-14(16)17-11-18(22)15-10-9-12-5-1-2-6-13(12)19(15)21-17/h1-11H
InChIKeyMFVYFWGKEIXBEP-UHFFFAOYSA-N
XLogP6.12
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.36
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)benzo[h]chromene-4-thione?
The IUPAC name of 2-(2-fluorophenyl)benzo[h]chromene-4-thione (CID 155558908) is 2-(2-fluorophenyl)benzo[h]chromene-4-thione.
What is the SMILES notation for 2-(2-fluorophenyl)benzo[h]chromene-4-thione?
The canonical SMILES for 2-(2-fluorophenyl)benzo[h]chromene-4-thione is Fc1ccccc1-c1cc(=S)c2ccc3ccccc3c2o1.
What is the InChIKey of 2-(2-fluorophenyl)benzo[h]chromene-4-thione?
The InChIKey is MFVYFWGKEIXBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FOS/c20-16-8-4-3-7-14(16)17-11-18(22)15-10-9-12-5-1-2-6-13(12)19(15)21-17/h1-11H.
What are the key properties of 2-(2-fluorophenyl)benzo[h]chromene-4-thione?
2-(2-fluorophenyl)benzo[h]chromene-4-thione has a molecular weight of 306.36 g/mol, XLogP of 6.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)benzo[h]chromene-4-thione is sourced from PubChem (CID 155558908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).