8-bromo-7-fluoro-3,4-dihydro-2H-chromene

C9H8BrFO — CID 155778553

IUPAC8-bromo-7-fluoro-3,4-dihydro-2H-chromene
SMILESFc1ccc2c(c1Br)OCCC2
InChIInChI=1S/C9H8BrFO/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4H,1-2,5H2
InChIKeyOVXUPXRFNMTDPN-UHFFFAOYSA-N
MW231.06 g/mol
LogP2.91
Rot. Bonds

About 8-bromo-7-fluoro-3,4-dihydro-2H-chromene

8-bromo-7-fluoro-3,4-dihydro-2H-chromene (PubChem CID 155778553) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-bromo-7-fluoro-3,4-dihydro-2H-chromene
PubChem CID155778553
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name8-bromo-7-fluoro-3,4-dihydro-2H-chromene
SMILESFc1ccc2c(c1Br)OCCC2
InChIInChI=1S/C9H8BrFO/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4H,1-2,5H2
InChIKeyOVXUPXRFNMTDPN-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-fluoro-3,4-dihydro-2H-chromen-8-ol
CID 10630931
7-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid
CID 22404817
(1R)-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanamine
CID 130845713
8-fluoro-3,4-dihydro-2H-chromen-7-ol
CID 101361843
2-amino-1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)ethanol
CID 117301278
3-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)propanal
CID 117297394
(2-bromo-3,4-difluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107538517
[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclopropyl]methanamine
CID 117315960
8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
CID 71065566
[1-(7-fluoro-3,4-dihydro-2H-chromen-8-yl)cyclohexyl]methanamine
CID 117413291
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
8-fluoro-5-methyl-3,4-dihydro-2H-chromene
CID 66604057

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 8-bromo-7-fluoro-3,4-dihydro-2H-chromene (CID 155778553) is 8-bromo-7-fluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-bromo-7-fluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-bromo-7-fluoro-3,4-dihydro-2H-chromene is Fc1ccc2c(c1Br)OCCC2.
What is the InChIKey of 8-bromo-7-fluoro-3,4-dihydro-2H-chromene?
The InChIKey is OVXUPXRFNMTDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-8-7(11)4-3-6-2-1-5-12-9(6)8/h3-4H,1-2,5H2.
What are the key properties of 8-bromo-7-fluoro-3,4-dihydro-2H-chromene?
8-bromo-7-fluoro-3,4-dihydro-2H-chromene has a molecular weight of 231.06 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 155778553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).