2-bromo-7-fluoro-2,3-dihydrochromen-4-one

C9H6BrFO2 — CID 172550133

IUPAC2-bromo-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(Br)Oc2cc(F)ccc21
InChIInChI=1S/C9H6BrFO2/c10-9-4-7(12)6-2-1-5(11)3-8(6)13-9/h1-3,9H,4H2
InChIKeyFIFKCOJCCPKSLA-UHFFFAOYSA-N
MW245.05 g/mol
LogP2.51
Rot. Bonds

About 2-bromo-7-fluoro-2,3-dihydrochromen-4-one

2-bromo-7-fluoro-2,3-dihydrochromen-4-one (PubChem CID 172550133) has the molecular formula C9H6BrFO2 and a molecular weight of 245.05 g/mol. Its IUPAC name is 2-bromo-7-fluoro-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-bromo-7-fluoro-2,3-dihydrochromen-4-one
PubChem CID172550133
Molecular FormulaC9H6BrFO2
Molecular Weight245.05 g/mol
Exact Mass243.95
IUPAC Name2-bromo-7-fluoro-2,3-dihydrochromen-4-one
SMILESO=C1CC(Br)Oc2cc(F)ccc21
InChIInChI=1S/C9H6BrFO2/c10-9-4-7(12)6-2-1-5(11)3-8(6)13-9/h1-3,9H,4H2
InChIKeyFIFKCOJCCPKSLA-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.05
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-7-fluoro-2,3-dihydrochromen-4-one
CID 114674627
2-(4-bromo-3-fluorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674698
2-(3,5-dichlorophenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674547
2-(4-cyclopropylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674557
2-(3-bromothiophen-2-yl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674866
2-(2-bromo-4-methylphenyl)-7-fluoro-2,3-dihydrochromen-4-one
CID 114674816
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-bromo-2-(2,4-difluorophenyl)-2,3-dihydrochromen-4-one
CID 114673069
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
(2S)-6-fluoro-2-methyl-2,3-dihydrochromen-4-one
CID 7016138

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluoro-2,3-dihydrochromen-4-one?
The IUPAC name of 2-bromo-7-fluoro-2,3-dihydrochromen-4-one (CID 172550133) is 2-bromo-7-fluoro-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-bromo-7-fluoro-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-bromo-7-fluoro-2,3-dihydrochromen-4-one is O=C1CC(Br)Oc2cc(F)ccc21.
What is the InChIKey of 2-bromo-7-fluoro-2,3-dihydrochromen-4-one?
The InChIKey is FIFKCOJCCPKSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFO2/c10-9-4-7(12)6-2-1-5(11)3-8(6)13-9/h1-3,9H,4H2.
What are the key properties of 2-bromo-7-fluoro-2,3-dihydrochromen-4-one?
2-bromo-7-fluoro-2,3-dihydrochromen-4-one has a molecular weight of 245.05 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluoro-2,3-dihydrochromen-4-one is sourced from PubChem (CID 172550133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).