7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol

C9H8BrFO — CID 171613740

IUPAC7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(F)cc(Br)c21
InChIInChI=1S/C9H8BrFO/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4,8,12H,1-2H2
InChIKeyBDILDGHAKRQDJS-UHFFFAOYSA-N
MW231.06 g/mol
LogP2.57
Rot. Bonds

About 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol

7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol (PubChem CID 171613740) has the molecular formula C9H8BrFO and a molecular weight of 231.06 g/mol. Its IUPAC name is 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
PubChem CID171613740
Molecular FormulaC9H8BrFO
Molecular Weight231.06 g/mol
Exact Mass229.97
IUPAC Name7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2cc(F)cc(Br)c21
InChIInChI=1S/C9H8BrFO/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4,8,12H,1-2H2
InChIKeyBDILDGHAKRQDJS-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol (CID 171613740) is 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol is OC1CCc2cc(F)cc(Br)c21.
What is the InChIKey of 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol?
The InChIKey is BDILDGHAKRQDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrFO/c10-7-4-6(11)3-5-1-2-8(12)9(5)7/h3-4,8,12H,1-2H2.
What are the key properties of 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol?
7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol has a molecular weight of 231.06 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-fluoro-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 171613740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).