5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol

C12H12BrF3O — CID 90462186

IUPAC5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol
SMILESCC1(C)Cc2cc(Br)ccc2C1(O)C(F)(F)F
InChIInChI=1S/C12H12BrF3O/c1-10(2)6-7-5-8(13)3-4-9(7)11(10,17)12(14,15)16/h3-5,17H,6H2,1-2H3
InChIKeyWFDMMUGIGIERPL-UHFFFAOYSA-N
MW309.12 g/mol
LogP3.78
Rot. Bonds

About 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol

5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol (PubChem CID 90462186) has the molecular formula C12H12BrF3O and a molecular weight of 309.12 g/mol. Its IUPAC name is 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol.

Molecular Properties

Compound Name5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol
PubChem CID90462186
Molecular FormulaC12H12BrF3O
Molecular Weight309.12 g/mol
Exact Mass308.00
IUPAC Name5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol
SMILESCC1(C)Cc2cc(Br)ccc2C1(O)C(F)(F)F
InChIInChI=1S/C12H12BrF3O/c1-10(2)6-7-5-8(13)3-4-9(7)11(10,17)12(14,15)16/h3-5,17H,6H2,1-2H3
InChIKeyWFDMMUGIGIERPL-UHFFFAOYSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol 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

(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 58347290
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
2-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59492587
4-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
5-bromo-2,3-dihydro-1H-inden-1-ol
CID 13486299
(R)-alpha-Methyl-alpha-(trifluoromethyl)-4-bromobenzenemethanol
CID 25129233
2-(4-Bromophenyl)-4,4,4-trifluorobutan-2-ol
CID 69266671
(2R)-2-(4-bromophenyl)-1,1,1-trifluorobutan-2-ol
CID 102382269
2,7-Dibromo-9-phenyl-9H-fluoren-9-ol
CID 22117546
2-(5-Bromo-2-methylphenyl)propan-2-ol
CID 84692412
2,7-dibromo-4-fluoro-9H-fluoren-9-ol
CID 267237

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol?
The IUPAC name of 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol (CID 90462186) is 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol.
What is the SMILES notation for 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol?
The canonical SMILES for 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol is CC1(C)Cc2cc(Br)ccc2C1(O)C(F)(F)F.
What is the InChIKey of 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol?
The InChIKey is WFDMMUGIGIERPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3O/c1-10(2)6-7-5-8(13)3-4-9(7)11(10,17)12(14,15)16/h3-5,17H,6H2,1-2H3.
What are the key properties of 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol?
5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol has a molecular weight of 309.12 g/mol, XLogP of 3.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,2-dimethyl-1-(trifluoromethyl)-3H-inden-1-ol is sourced from PubChem (CID 90462186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).