2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one

C13H8BrFO2S — CID 114674866

IUPAC2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2sccc2Br)Oc2cc(F)ccc21
InChIInChI=1S/C13H8BrFO2S/c14-9-3-4-18-13(9)12-6-10(16)8-2-1-7(15)5-11(8)17-12/h1-5,12H,6H2
InChIKeySBDLPGOHFPZKEM-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.36
Rot. Bonds1

About 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one

2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one (PubChem CID 114674866) has the molecular formula C13H8BrFO2S and a molecular weight of 327.17 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one
PubChem CID114674866
Molecular FormulaC13H8BrFO2S
Molecular Weight327.17 g/mol
Exact Mass325.94
IUPAC Name2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2sccc2Br)Oc2cc(F)ccc21
InChIInChI=1S/C13H8BrFO2S/c14-9-3-4-18-13(9)12-6-10(16)8-2-1-7(15)5-11(8)17-12/h1-5,12H,6H2
InChIKeySBDLPGOHFPZKEM-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674698
2-(2-bromo-4-methylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674816
2-bromo-7-fluoro-2,3-dihydrochromen-4-one
CID 172550133
2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674557
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
7-bromo-2-(2,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673069
2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
CID 114674627
7-fluoro-2-(3-hydroxyphenyl)-2,3-dihydrochromen-4-one
CID 114674580
7-fluoro-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 5271543
7-fluoro-2-(3-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 114674776
7-fluoro-2-(1-methylpyrazol-4-yl)-2,3-dihydrochromen-4-one
CID 114674787
7-bromo-2-(3,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673233

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one (CID 114674866) is 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one is O=C1CC(c2sccc2Br)Oc2cc(F)ccc21.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is SBDLPGOHFPZKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFO2S/c14-9-3-4-18-13(9)12-6-10(16)8-2-1-7(15)5-11(8)17-12/h1-5,12H,6H2.
What are the key properties of 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one?
2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 327.17 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 114674866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).