6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol

C9H7BrF2O — CID 86715125

IUPAC6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(F)cc(Br)c(F)c21
InChIInChI=1S/C9H7BrF2O/c10-5-3-6(11)4-1-2-7(13)8(4)9(5)12/h3,7,13H,1-2H2
InChIKeyGJDVJHWWFXVSED-UHFFFAOYSA-N
MW249.05 g/mol
LogP2.71
Rot. Bonds

About 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol

6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 86715125) has the molecular formula C9H7BrF2O and a molecular weight of 249.05 g/mol. Its IUPAC name is 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID86715125
Molecular FormulaC9H7BrF2O
Molecular Weight249.05 g/mol
Exact Mass247.96
IUPAC Name6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c(F)cc(Br)c(F)c21
InChIInChI=1S/C9H7BrF2O/c10-5-3-6(11)4-1-2-7(13)8(4)9(5)12/h3,7,13H,1-2H2
InChIKeyGJDVJHWWFXVSED-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-1-indanol
CID 13330208
(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
2-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59492587
4,7-difluoro-2,3-dihydro-1H-inden-1-ol
CID 598153
5-bromo-2,3-dihydro-1H-inden-1-ol
CID 13486299
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
[4-Bromo-2-(trifluoromethyl)phenyl]methanol
CID 74892768
1-(4-Bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-ol
CID 86767394
5-Bromo-2-(trifluoromethyl)benzyl alcohol
CID 99769938

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol (CID 86715125) is 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol is OC1CCc2c(F)cc(Br)c(F)c21.
What is the InChIKey of 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is GJDVJHWWFXVSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O/c10-5-3-6(11)4-1-2-7(13)8(4)9(5)12/h3,7,13H,1-2H2.
What are the key properties of 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol?
6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 249.05 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4,7-difluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 86715125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).