6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one

C10H4F4O3 — CID 123394161

IUPAC6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2cc(O)c(F)cc12
InChIInChI=1S/C10H4F4O3/c11-5-1-4-6(15)3-9(10(12,13)14)17-8(4)2-7(5)16/h1-3,16H
InChIKeyNRLPQKWPJZIYPW-UHFFFAOYSA-N
MW248.13 g/mol
LogP2.66
Rot. Bonds

About 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one

6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one (PubChem CID 123394161) has the molecular formula C10H4F4O3 and a molecular weight of 248.13 g/mol. Its IUPAC name is 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one
PubChem CID123394161
Molecular FormulaC10H4F4O3
Molecular Weight248.13 g/mol
Exact Mass248.01
IUPAC Name6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2cc(O)c(F)cc12
InChIInChI=1S/C10H4F4O3/c11-5-1-4-6(15)3-9(10(12,13)14)17-8(4)2-7(5)16/h1-3,16H
InChIKeyNRLPQKWPJZIYPW-UHFFFAOYSA-N
XLogP2.66
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one (CID 123394161) is 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one is O=c1cc(C(F)(F)F)oc2cc(O)c(F)cc12.
What is the InChIKey of 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
The InChIKey is NRLPQKWPJZIYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4O3/c11-5-1-4-6(15)3-9(10(12,13)14)17-8(4)2-7(5)16/h1-3,16H.
What are the key properties of 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one?
6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one has a molecular weight of 248.13 g/mol, XLogP of 2.66, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-hydroxy-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 123394161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).