6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol

C15H10F4O2 — CID 114714043

IUPAC6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cc(F)c(F)c(F)c2)Oc2ccc(F)cc21
InChIInChI=1S/C15H10F4O2/c16-8-1-2-13-9(5-8)12(20)6-14(21-13)7-3-10(17)15(19)11(18)4-7/h1-5,12,14,20H,6H2
InChIKeyOLRXIMURXFUOKH-UHFFFAOYSA-N
MW298.24 g/mol
LogP3.80
Rot. Bonds1

About 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol

6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714043) has the molecular formula C15H10F4O2 and a molecular weight of 298.24 g/mol. Its IUPAC name is 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714043
Molecular FormulaC15H10F4O2
Molecular Weight298.24 g/mol
Exact Mass298.06
IUPAC Name6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2cc(F)c(F)c(F)c2)Oc2ccc(F)cc21
InChIInChI=1S/C15H10F4O2/c16-8-1-2-13-9(5-8)12(20)6-14(21-13)7-3-10(17)15(19)11(18)4-7/h1-5,12,14,20H,6H2
InChIKeyOLRXIMURXFUOKH-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.24
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-(3,5-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948056
(4S)-2-(4-bromo-3-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948186
(4S)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948023
(4S)-2-(3-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948114
2-(3-chloro-4-hydroxyphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714106
(4S)-2-(2,5-difluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-ol
CID 104950561
(4S)-6-bromo-2-(2,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951176
2-(4-bromo-3-methylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114714057
(4R)-6-fluoro-2-(6-methyl-3-pyridinyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948412
(4S)-6-chloro-2-(3,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 104948892
(4R)-2-(2-chlorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104948273
6-bromo-2-(2,4-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715629

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol (CID 114714043) is 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2cc(F)c(F)c(F)c2)Oc2ccc(F)cc21.
What is the InChIKey of 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is OLRXIMURXFUOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4O2/c16-8-1-2-13-9(5-8)12(20)6-14(21-13)7-3-10(17)15(19)11(18)4-7/h1-5,12,14,20H,6H2.
What are the key properties of 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol?
6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 298.24 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(3,4,5-trifluorophenyl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).