8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene

C9H7BrF2O — CID 141158645

IUPAC8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene
SMILESFc1cc(Br)c2c(c1F)CCCO2
InChIInChI=1S/C9H7BrF2O/c10-6-4-7(11)8(12)5-2-1-3-13-9(5)6/h4H,1-3H2
InChIKeyZFZYRJUPOPLMOW-UHFFFAOYSA-N
MW249.05 g/mol
LogP3.05
Rot. Bonds

About 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene

8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene (PubChem CID 141158645) has the molecular formula C9H7BrF2O and a molecular weight of 249.05 g/mol. Its IUPAC name is 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene
PubChem CID141158645
Molecular FormulaC9H7BrF2O
Molecular Weight249.05 g/mol
Exact Mass247.96
IUPAC Name8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene
SMILESFc1cc(Br)c2c(c1F)CCCO2
InChIInChI=1S/C9H7BrF2O/c10-6-4-7(11)8(12)5-2-1-3-13-9(5)6/h4H,1-3H2
InChIKeyZFZYRJUPOPLMOW-UHFFFAOYSA-N
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-6-bromo-8,9-difluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 107100721
8-fluoro-5-methyl-3,4-dihydro-2H-chromene
CID 66604057
(4S)-8-bromo-5,6-difluoro-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252127
(2R)-2-(7,8-difluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519564
(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol
CID 107102402
7-bromo-5-chloro-3,4-dihydro-2H-chromen-8-ol
CID 165122996
8-bromo-7-fluoro-3,4-dihydro-2H-chromene
CID 155778553
5,8-dimethyl-3,4-dihydro-2H-chromen-6-ol
CID 5211612
CID 66691752
CID 66691752
5,7-difluoro-3,4-dihydro-2H-chromene
CID 83397396
6,8-difluoro-3,4-dihydro-2H-chromene
CID 69010256
2-(6,7,8-trifluoro-3,4-dihydro-2H-chromen-5-yl)ethanamine
CID 90878501

Frequently Asked Questions

What is the IUPAC name of 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene?
The IUPAC name of 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene (CID 141158645) is 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene is Fc1cc(Br)c2c(c1F)CCCO2.
What is the InChIKey of 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene?
The InChIKey is ZFZYRJUPOPLMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O/c10-6-4-7(11)8(12)5-2-1-3-13-9(5)6/h4H,1-3H2.
What are the key properties of 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene?
8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene has a molecular weight of 249.05 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5,6-difluoro-3,4-dihydro-2H-chromene is sourced from PubChem (CID 141158645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).