(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C13H9BrClFO2S — CID 102846033

IUPAC(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2cc(Br)c(Cl)s2)Oc2cc(F)ccc21
InChIInChI=1S/C13H9BrClFO2S/c14-8-4-12(19-13(8)15)11-5-9(17)7-2-1-6(16)3-10(7)18-11/h1-4,9,11,17H,5H2/t9-,11?/m1/s1
InChIKeyGISFXORJJOXGDY-BFHBGLAWSA-N
MW363.64 g/mol
LogP4.86
Rot. Bonds1

About (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 102846033) has the molecular formula C13H9BrClFO2S and a molecular weight of 363.64 g/mol. Its IUPAC name is (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID102846033
Molecular FormulaC13H9BrClFO2S
Molecular Weight363.64 g/mol
Exact Mass361.92
IUPAC Name(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESO[C@@H]1CC(c2cc(Br)c(Cl)s2)Oc2cc(F)ccc21
InChIInChI=1S/C13H9BrClFO2S/c14-8-4-12(19-13(8)15)11-5-9(17)7-2-1-6(16)3-10(7)18-11/h1-4,9,11,17H,5H2/t9-,11?/m1/s1
InChIKeyGISFXORJJOXGDY-BFHBGLAWSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.64
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol with MolForge

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 102846174
2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715828
(4S)-2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845999
2-(4-bromo-5-chlorothiophen-2-yl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 102845967
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 102846024
(4S)-7-bromo-2-(4,5-dibromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 102846006
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
2-(3-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715770
(4S)-2-(4-bromo-5-methylthiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 102846179

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 102846033) is (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is O[C@@H]1CC(c2cc(Br)c(Cl)s2)Oc2cc(F)ccc21.
What is the InChIKey of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is GISFXORJJOXGDY-BFHBGLAWSA-N. The full InChI is InChI=1S/C13H9BrClFO2S/c14-8-4-12(19-13(8)15)11-5-9(17)7-2-1-6(16)3-10(7)18-11/h1-4,9,11,17H,5H2/t9-,11?/m1/s1.
What are the key properties of (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 363.64 g/mol, XLogP of 4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 102846033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).