5,6,7,8-tetrafluoro-2-phenylchromen-4-one

C15H6F4O2 — CID 91434765

IUPAC5,6,7,8-tetrafluoro-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C15H6F4O2/c16-11-10-8(20)6-9(7-4-2-1-3-5-7)21-15(10)14(19)13(18)12(11)17/h1-6H
InChIKeyWULBMHXRUODZOX-UHFFFAOYSA-N
MW294.20 g/mol
LogP4.02
Rot. Bonds1

About 5,6,7,8-tetrafluoro-2-phenylchromen-4-one

5,6,7,8-tetrafluoro-2-phenylchromen-4-one (PubChem CID 91434765) has the molecular formula C15H6F4O2 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5,6,7,8-tetrafluoro-2-phenylchromen-4-one.

Molecular Properties

Compound Name5,6,7,8-tetrafluoro-2-phenylchromen-4-one
PubChem CID91434765
Molecular FormulaC15H6F4O2
Molecular Weight294.20 g/mol
Exact Mass294.03
IUPAC Name5,6,7,8-tetrafluoro-2-phenylchromen-4-one
SMILESO=c1cc(-c2ccccc2)oc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C15H6F4O2/c16-11-10-8(20)6-9(7-4-2-1-3-5-7)21-15(10)14(19)13(18)12(11)17/h1-6H
InChIKeyWULBMHXRUODZOX-UHFFFAOYSA-N
XLogP4.02
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-oxo-2-phenylchromene-8-carboxylic acid
CID 172785985
5,6,7-trimethoxy-2-phenyl-8-(5,6,7-trimethoxy-4-oxo-2-phenylchromen-8-yl)chromen-4-one
CID 14889330
6,8-dichloro-5,7-dimethoxy-2-phenylchromen-4-one
CID 15826150
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one
CID 5281703
5,7-dihydroxy-8-methoxy-2-phenylchromen-4-one;hydrochloride
CID 175431329
2,5-diphenylchromen-4-one
CID 71424268
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
7-hydroxy-8-methoxy-4-oxo-2-phenylchromen-5-olate
CID 86289529
5,7-dihydroxy-6,8-bis(methoxymethyl)-2-phenylchromen-4-one
CID 25141901
8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one
CID 178046106
8-phenylfuro[3,2-h]chromen-6-one
CID 162925153
CID 172853606
CID 172853606

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrafluoro-2-phenylchromen-4-one?
The IUPAC name of 5,6,7,8-tetrafluoro-2-phenylchromen-4-one (CID 91434765) is 5,6,7,8-tetrafluoro-2-phenylchromen-4-one.
What is the SMILES notation for 5,6,7,8-tetrafluoro-2-phenylchromen-4-one?
The canonical SMILES for 5,6,7,8-tetrafluoro-2-phenylchromen-4-one is O=c1cc(-c2ccccc2)oc2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 5,6,7,8-tetrafluoro-2-phenylchromen-4-one?
The InChIKey is WULBMHXRUODZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F4O2/c16-11-10-8(20)6-9(7-4-2-1-3-5-7)21-15(10)14(19)13(18)12(11)17/h1-6H.
What are the key properties of 5,6,7,8-tetrafluoro-2-phenylchromen-4-one?
5,6,7,8-tetrafluoro-2-phenylchromen-4-one has a molecular weight of 294.20 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrafluoro-2-phenylchromen-4-one is sourced from PubChem (CID 91434765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).