6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol

C16H12BrF3O — CID 118526494

IUPAC6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCc2ccc(Br)cc21
InChIInChI=1S/C16H12BrF3O/c17-11-6-5-10-7-8-15(21,14(10)9-11)12-3-1-2-4-13(12)16(18,19)20/h1-6,9,21H,7-8H2
InChIKeyUIQBXQPMUFXCEB-UHFFFAOYSA-N
MW357.17 g/mol
LogP4.65
Rot. Bonds1

About 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol

6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol (PubChem CID 118526494) has the molecular formula C16H12BrF3O and a molecular weight of 357.17 g/mol. Its IUPAC name is 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
PubChem CID118526494
Molecular FormulaC16H12BrF3O
Molecular Weight357.17 g/mol
Exact Mass356.00
IUPAC Name6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCc2ccc(Br)cc21
InChIInChI=1S/C16H12BrF3O/c17-11-6-5-10-7-8-15(21,14(10)9-11)12-3-1-2-4-13(12)16(18,19)20/h1-6,9,21H,7-8H2
InChIKeyUIQBXQPMUFXCEB-UHFFFAOYSA-N
XLogP4.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492489
2-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492925
9-(Trifluoromethyl)-9H-fluoren-9-ol
CID 2760747
(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
9-(Difluoromethyl)fluoren-9-ol
CID 134964992
2-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59492587
4-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
3-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59493123
5-bromo-2,3-dihydro-1H-inden-1-ol
CID 13486299
1,1-Bis-(p-bromophenyl)-2,2,2-trifluoroethanol
CID 129671667
1-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492710

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol (CID 118526494) is 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol is OC1(c2ccccc2C(F)(F)F)CCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The InChIKey is UIQBXQPMUFXCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3O/c17-11-6-5-10-7-8-15(21,14(10)9-11)12-3-1-2-4-13(12)16(18,19)20/h1-6,9,21H,7-8H2.
What are the key properties of 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol has a molecular weight of 357.17 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 118526494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).