7-fluoro-2-(4-fluorophenyl)chromene-4-thione

C15H8F2OS — CID 46231935

IUPAC7-fluoro-2-(4-fluorophenyl)chromene-4-thione
SMILESFc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1
InChIInChI=1S/C15H8F2OS/c16-10-3-1-9(2-4-10)13-8-15(19)12-6-5-11(17)7-14(12)18-13/h1-8H
InChIKeyJDKXGUUVCBWLSB-UHFFFAOYSA-N
MW274.29 g/mol
LogP5.11
Rot. Bonds1

About 7-fluoro-2-(4-fluorophenyl)chromene-4-thione

7-fluoro-2-(4-fluorophenyl)chromene-4-thione (PubChem CID 46231935) has the molecular formula C15H8F2OS and a molecular weight of 274.29 g/mol. Its IUPAC name is 7-fluoro-2-(4-fluorophenyl)chromene-4-thione.

Molecular Properties

Compound Name7-fluoro-2-(4-fluorophenyl)chromene-4-thione
PubChem CID46231935
Molecular FormulaC15H8F2OS
Molecular Weight274.29 g/mol
Exact Mass274.03
IUPAC Name7-fluoro-2-(4-fluorophenyl)chromene-4-thione
SMILESFc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1
InChIInChI=1S/C15H8F2OS/c16-10-3-1-9(2-4-10)13-8-15(19)12-6-5-11(17)7-14(12)18-13/h1-8H
InChIKeyJDKXGUUVCBWLSB-UHFFFAOYSA-N
XLogP5.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.29
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-fluorophenyl)chromene-4-thione?
The IUPAC name of 7-fluoro-2-(4-fluorophenyl)chromene-4-thione (CID 46231935) is 7-fluoro-2-(4-fluorophenyl)chromene-4-thione.
What is the SMILES notation for 7-fluoro-2-(4-fluorophenyl)chromene-4-thione?
The canonical SMILES for 7-fluoro-2-(4-fluorophenyl)chromene-4-thione is Fc1ccc(-c2cc(=S)c3ccc(F)cc3o2)cc1.
What is the InChIKey of 7-fluoro-2-(4-fluorophenyl)chromene-4-thione?
The InChIKey is JDKXGUUVCBWLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2OS/c16-10-3-1-9(2-4-10)13-8-15(19)12-6-5-11(17)7-14(12)18-13/h1-8H.
What are the key properties of 7-fluoro-2-(4-fluorophenyl)chromene-4-thione?
7-fluoro-2-(4-fluorophenyl)chromene-4-thione has a molecular weight of 274.29 g/mol, XLogP of 5.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-fluorophenyl)chromene-4-thione is sourced from PubChem (CID 46231935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).