9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one

C15H10F2O3 — CID 167675940

IUPAC9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one
SMILESCC(F)c1cc2c(=O)oc3cc(O)ccc3c2cc1F
InChIInChI=1S/C15H10F2O3/c1-7(16)10-5-12-11(6-13(10)17)9-3-2-8(18)4-14(9)20-15(12)19/h2-7,18H,1H3
InChIKeyGSHQPXMFTAMOMF-UHFFFAOYSA-N
MW276.24 g/mol
LogP3.82
Rot. Bonds1

About 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one

9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one (PubChem CID 167675940) has the molecular formula C15H10F2O3 and a molecular weight of 276.24 g/mol. Its IUPAC name is 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one
PubChem CID167675940
Molecular FormulaC15H10F2O3
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one
SMILESCC(F)c1cc2c(=O)oc3cc(O)ccc3c2cc1F
InChIInChI=1S/C15H10F2O3/c1-7(16)10-5-12-11(6-13(10)17)9-3-2-8(18)4-14(9)20-15(12)19/h2-7,18H,1H3
InChIKeyGSHQPXMFTAMOMF-UHFFFAOYSA-N
XLogP3.82
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
CID 11510769
8-cyclobutyloxy-9-fluoro-3-hydroxybenzo[c]chromen-6-one
CID 167646162
CID 153050234
CID 153050234
3-hydroxy-9-(3-hydroxyprop-1-ynyl)-8-methylbenzo[c]chromen-6-one
CID 167569200
3-(difluoromethyl)-8-methylbenzo[c]chromen-6-one
CID 167635603
8-[(dimethylamino)methyl]-3-hydroxybenzo[c]chromen-6-one
CID 170381068
7-hydroxy-3,4-bis(hydroxymethyl)chromen-2-one
CID 58676736
8-butyl-3-hydroxybenzo[c]chromen-6-one
CID 167552509
8-hydroxy-3-nitrosobenzo[c]chromen-6-one
CID 144622401
3,7,8-trihydroxybenzo[c]chromen-6-one
CID 72793787
7-hydroxy-4-methyl-3-phosphanylchromen-2-one
CID 88515701
7-hydroxy-3-[(7-hydroxy-4-methyl-2-oxochromen-3-yl)methyl]-4-methylchromen-2-one
CID 10473941

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one?
The IUPAC name of 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one (CID 167675940) is 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one?
The canonical SMILES for 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one is CC(F)c1cc2c(=O)oc3cc(O)ccc3c2cc1F.
What is the InChIKey of 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one?
The InChIKey is GSHQPXMFTAMOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O3/c1-7(16)10-5-12-11(6-13(10)17)9-3-2-8(18)4-14(9)20-15(12)19/h2-7,18H,1H3.
What are the key properties of 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one?
9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one has a molecular weight of 276.24 g/mol, XLogP of 3.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-8-(1-fluoroethyl)-3-hydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 167675940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).