6-fluoro-2-(hydroxymethyl)chromen-4-one

C10H7FO3 — CID 14089208

IUPAC6-fluoro-2-(hydroxymethyl)chromen-4-one
SMILESO=c1cc(CO)oc2ccc(F)cc12
InChIInChI=1S/C10H7FO3/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4,12H,5H2
InChIKeyOAGMLRFYWFBTFF-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.42
Rot. Bonds1

About 6-fluoro-2-(hydroxymethyl)chromen-4-one

6-fluoro-2-(hydroxymethyl)chromen-4-one (PubChem CID 14089208) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 6-fluoro-2-(hydroxymethyl)chromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-(hydroxymethyl)chromen-4-one
PubChem CID14089208
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name6-fluoro-2-(hydroxymethyl)chromen-4-one
SMILESO=c1cc(CO)oc2ccc(F)cc12
InChIInChI=1S/C10H7FO3/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4,12H,5H2
InChIKeyOAGMLRFYWFBTFF-UHFFFAOYSA-N
XLogP1.42
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(hydroxymethyl)chromen-4-one
CID 12536095
6-fluoro-4-oxochromene-2-carboxylate
CID 6951269
6-fluoro-N-methyl-4-oxochromene-2-carboxamide
CID 139338161
2-[3-(3,3-difluorocyclobutyl)propanoyl]-6-fluorochromen-4-one
CID 161419791
[4-(6-fluoro-4-oxochromen-2-yl)phenyl]methylphosphonic acid
CID 140966920
6-fluoro-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-4-one
CID 177477237
2,9-difluorobenzo[b]xanthen-12-one
CID 135167571
7-fluoro-2-(pyridin-4-ylmethyl)chromen-4-one
CID 127028817
4-acetyl-6-fluorochromen-2-one
CID 53386591
6-fluoro-2-[3-(oxan-2-yl)propanoyl]chromen-4-one
CID 159966896
6-fluoro-2-oxochromene-4-carbaldehyde
CID 139198666
6-bromo-2-(chloromethyl)chromen-4-one
CID 126484643

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(hydroxymethyl)chromen-4-one?
The IUPAC name of 6-fluoro-2-(hydroxymethyl)chromen-4-one (CID 14089208) is 6-fluoro-2-(hydroxymethyl)chromen-4-one.
What is the SMILES notation for 6-fluoro-2-(hydroxymethyl)chromen-4-one?
The canonical SMILES for 6-fluoro-2-(hydroxymethyl)chromen-4-one is O=c1cc(CO)oc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(hydroxymethyl)chromen-4-one?
The InChIKey is OAGMLRFYWFBTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c11-6-1-2-10-8(3-6)9(13)4-7(5-12)14-10/h1-4,12H,5H2.
What are the key properties of 6-fluoro-2-(hydroxymethyl)chromen-4-one?
6-fluoro-2-(hydroxymethyl)chromen-4-one has a molecular weight of 194.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(hydroxymethyl)chromen-4-one is sourced from PubChem (CID 14089208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).