6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol

C16H11BrF4O — CID 118526315

IUPAC6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCc2cc(F)c(Br)cc21
InChIInChI=1S/C16H11BrF4O/c17-13-8-12-9(7-14(13)18)5-6-15(12,22)10-3-1-2-4-11(10)16(19,20)21/h1-4,7-8,22H,5-6H2
InChIKeyKJILPGDGBZONID-UHFFFAOYSA-N
MW375.16 g/mol
LogP4.79
Rot. Bonds1

About 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol

6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol (PubChem CID 118526315) has the molecular formula C16H11BrF4O and a molecular weight of 375.16 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
PubChem CID118526315
Molecular FormulaC16H11BrF4O
Molecular Weight375.16 g/mol
Exact Mass373.99
IUPAC Name6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol
SMILESOC1(c2ccccc2C(F)(F)F)CCc2cc(F)c(Br)cc21
InChIInChI=1S/C16H11BrF4O/c17-13-8-12-9(7-14(13)18)5-6-15(12,22)10-3-1-2-4-11(10)16(19,20)21/h1-4,7-8,22H,5-6H2
InChIKeyKJILPGDGBZONID-UHFFFAOYSA-N
XLogP4.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.16
LogP ≤ 54.79
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
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
1,1-Bis-(p-bromophenyl)-2,2,2-trifluoroethanol
CID 129671667
1-Fluoro-9-(trifluoromethyl)fluoren-9-ol
CID 59492710
9-(4-bromophenyl)-9H-fluoren-9-ol
CID 13460626
2,7-Dibromo-9-phenyl-9H-fluoren-9-ol
CID 22117546
9-(2-Bromophenyl)-9H-fluoren-9-ol
CID 53330086

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The IUPAC name of 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol (CID 118526315) is 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol is OC1(c2ccccc2C(F)(F)F)CCc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
The InChIKey is KJILPGDGBZONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF4O/c17-13-8-12-9(7-14(13)18)5-6-15(12,22)10-3-1-2-4-11(10)16(19,20)21/h1-4,7-8,22H,5-6H2.
What are the key properties of 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol?
6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol has a molecular weight of 375.16 g/mol, XLogP of 4.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 118526315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).