2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol

C13H10BrFO2S — CID 114715828

IUPAC2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(Br)s2)Oc2cc(F)ccc21
InChIInChI=1S/C13H10BrFO2S/c14-13-4-3-12(18-13)11-6-9(16)8-2-1-7(15)5-10(8)17-11/h1-5,9,11,16H,6H2
InChIKeyHJLWCVXWOXOARL-UHFFFAOYSA-N
MW329.19 g/mol
LogP4.21
Rot. Bonds1

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

2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114715828) has the molecular formula C13H10BrFO2S and a molecular weight of 329.19 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
PubChem CID114715828
Molecular FormulaC13H10BrFO2S
Molecular Weight329.19 g/mol
Exact Mass327.96
IUPAC Name2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
SMILESOC1CC(c2ccc(Br)s2)Oc2cc(F)ccc21
InChIInChI=1S/C13H10BrFO2S/c14-13-4-3-12(18-13)11-6-9(16)8-2-1-7(15)5-10(8)17-11/h1-5,9,11,16H,6H2
InChIKeyHJLWCVXWOXOARL-UHFFFAOYSA-N
XLogP4.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104947998
(4R)-2-(4-bromo-5-chlorothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 102846033
2-(5-bromothiophen-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114714985
2-(4-bromophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715787
(4S)-2-(5-bromothiophen-2-yl)-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950840
2-(3,5-dimethylphenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715712
(4R)-2-(4-bromo-2-chlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951757
(4S)-7-fluoro-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104951796
2-(5-bromothiophen-2-yl)-6-fluoro-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114710588
7-fluoro-2-(2-fluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114715763
2-(3,5-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 114715772
(4R)-2-(2,6-dichlorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol
CID 104951630

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol (CID 114715828) is 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is OC1CC(c2ccc(Br)s2)Oc2cc(F)ccc21.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is HJLWCVXWOXOARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFO2S/c14-13-4-3-12(18-13)11-6-9(16)8-2-1-7(15)5-10(8)17-11/h1-5,9,11,16H,6H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol?
2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 329.19 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-7-fluoro-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114715828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).