7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one

C16H5F5O4 — CID 19074026

IUPAC7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C16H5F5O4/c17-10-9(11(18)13(20)14(21)12(10)19)15(23)7-3-5-1-2-6(22)4-8(5)25-16(7)24/h1-4,22H
InChIKeyGYNXMQDBQNHMLX-UHFFFAOYSA-N
MW356.20 g/mol
LogP3.43
Rot. Bonds2

About 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one

7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one (PubChem CID 19074026) has the molecular formula C16H5F5O4 and a molecular weight of 356.20 g/mol. Its IUPAC name is 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one
PubChem CID19074026
Molecular FormulaC16H5F5O4
Molecular Weight356.20 g/mol
Exact Mass356.01
IUPAC Name7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one
SMILESO=C(c1c(F)c(F)c(F)c(F)c1F)c1cc2ccc(O)cc2oc1=O
InChIInChI=1S/C16H5F5O4/c17-10-9(11(18)13(20)14(21)12(10)19)15(23)7-3-5-1-2-6(22)4-8(5)25-16(7)24/h1-4,22H
InChIKeyGYNXMQDBQNHMLX-UHFFFAOYSA-N
XLogP3.43
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.20
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-hydroxy-2-oxo-N-[1-[(2,3,4,5,6-pentafluorobenzoyl)amino]ethyl]chromene-3-carboxamide
CID 19074029
3-(2-bromoacetyl)-7-hydroxychromen-2-one
CID 6157272
7-hydroxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 122206892
7-hydroxy-N-(4-hydroxyphenyl)-2-oxochromene-3-carboxamide
CID 23730518
7-hydroxy-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]chromen-2-one
CID 135576755
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-7-hydroxy-2-oxochromene-3-carboxamide
CID 135121493
2-(7-hydroxy-2-oxochromen-3-yl)acetic acid
CID 22167456
benzyl 7-hydroxy-2-oxochromene-3-carboxylate
CID 101425420
bis(6-hydroxy-1-benzofuran-2-yl)methanone
CID 13393486
7-hydroxy-3-(7-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11703726
3-amino-7-hydroxychromen-2-one;ethane
CID 145140351
3-[3-(1,5-dimethylpyrazol-4-yl)prop-2-enoyl]-7-hydroxychromen-2-one
CID 171131463

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one?
The IUPAC name of 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one (CID 19074026) is 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one?
The canonical SMILES for 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one is O=C(c1c(F)c(F)c(F)c(F)c1F)c1cc2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one?
The InChIKey is GYNXMQDBQNHMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H5F5O4/c17-10-9(11(18)13(20)14(21)12(10)19)15(23)7-3-5-1-2-6(22)4-8(5)25-16(7)24/h1-4,22H.
What are the key properties of 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one?
7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one has a molecular weight of 356.20 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(2,3,4,5,6-pentafluorobenzoyl)chromen-2-one is sourced from PubChem (CID 19074026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).