8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene

C14H12BrFOS — CID 57010626

IUPAC8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCc2cc(F)cc(-c3ccc(Br)s3)c2O1
InChIInChI=1S/C14H12BrFOS/c1-8-2-3-9-6-10(16)7-11(14(9)17-8)12-4-5-13(15)18-12/h4-8H,2-3H2,1H3
InChIKeyJOFVCRGHRUEYOO-UHFFFAOYSA-N
MW327.22 g/mol
LogP5.03
Rot. Bonds1

About 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene

8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene (PubChem CID 57010626) has the molecular formula C14H12BrFOS and a molecular weight of 327.22 g/mol. Its IUPAC name is 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene
PubChem CID57010626
Molecular FormulaC14H12BrFOS
Molecular Weight327.22 g/mol
Exact Mass325.98
IUPAC Name8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene
SMILESCC1CCc2cc(F)cc(-c3ccc(Br)s3)c2O1
InChIInChI=1S/C14H12BrFOS/c1-8-2-3-9-6-10(16)7-11(14(9)17-8)12-4-5-13(15)18-12/h4-8H,2-3H2,1H3
InChIKeyJOFVCRGHRUEYOO-UHFFFAOYSA-N
XLogP5.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.22
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene (CID 57010626) is 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene is CC1CCc2cc(F)cc(-c3ccc(Br)s3)c2O1.
What is the InChIKey of 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene?
The InChIKey is JOFVCRGHRUEYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFOS/c1-8-2-3-9-6-10(16)7-11(14(9)17-8)12-4-5-13(15)18-12/h4-8H,2-3H2,1H3.
What are the key properties of 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene?
8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene has a molecular weight of 327.22 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromothiophen-2-yl)-6-fluoro-2-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 57010626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).