6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

C10H8BrF3O — CID 90013465

IUPAC6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c1cc(Br)cc2C(F)(F)F
InChIInChI=1S/C10H8BrF3O/c11-5-3-7-6(1-2-9(7)15)8(4-5)10(12,13)14/h3-4,9,15H,1-2H2
InChIKeyAENNSSIAUODFQE-UHFFFAOYSA-N
MW281.07 g/mol
LogP3.45
Rot. Bonds

About 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 90013465) has the molecular formula C10H8BrF3O and a molecular weight of 281.07 g/mol. Its IUPAC name is 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID90013465
Molecular FormulaC10H8BrF3O
Molecular Weight281.07 g/mol
Exact Mass279.97
IUPAC Name6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESOC1CCc2c1cc(Br)cc2C(F)(F)F
InChIInChI=1S/C10H8BrF3O/c11-5-3-7-6(1-2-9(7)15)8(4-5)10(12,13)14/h3-4,9,15H,1-2H2
InChIKeyAENNSSIAUODFQE-UHFFFAOYSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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
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
(1S)-4-(Trifluoromethyl)indan-1-ol
CID 67058205
(1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 71299622
[4-Bromo-2-(trifluoromethyl)phenyl]methanol
CID 74892768
1-(4-Bromo-2-methylphenyl)-2,2,2-trifluoroethan-1-ol
CID 86767394

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (CID 90013465) is 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is OC1CCc2c1cc(Br)cc2C(F)(F)F.
What is the InChIKey of 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is AENNSSIAUODFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O/c11-5-3-7-6(1-2-9(7)15)8(4-5)10(12,13)14/h3-4,9,15H,1-2H2.
What are the key properties of 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 281.07 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 90013465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).