[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol

C17H12F6O — CID 118526363

IUPAC[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol
SMILESOCc1cc2c(cc1F)C(F)(F)CC2c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F6O/c18-15-6-14-11(5-9(15)8-24)12(7-16(14,19)20)10-3-1-2-4-13(10)17(21,22)23/h1-6,12,24H,7-8H2
InChIKeyRNEYHYQMLUBHAY-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.96
Rot. Bonds2

About [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol

[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol (PubChem CID 118526363) has the molecular formula C17H12F6O and a molecular weight of 346.27 g/mol. Its IUPAC name is [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol.

Molecular Properties

Compound Name[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol
PubChem CID118526363
Molecular FormulaC17H12F6O
Molecular Weight346.27 g/mol
Exact Mass346.08
IUPAC Name[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol
SMILESOCc1cc2c(cc1F)C(F)(F)CC2c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F6O/c18-15-6-14-11(5-9(15)8-24)12(7-16(14,19)20)10-3-1-2-4-13(10)17(21,22)23/h1-6,12,24H,7-8H2
InChIKeyRNEYHYQMLUBHAY-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-(chloromethyl)-5-fluoro-3,3-dimethyl-1-[2-(trifluoromethyl)phenyl]-1,2-dihydroindene
CID 118526276
[3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclopropane]-5-yl]methanol
CID 118525850
[6-fluoro-1-[2-(trifluoromethyl)phenyl]-3,4-dihydro-1H-isochromen-7-yl]methanol
CID 118526465
3-[[6-fluoro-1,1-dimethyl-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methoxy]-6-methyl-6,7-dihydro-5H-cyclopenta[c]pyridine
CID 144962371
[4-chloro-2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 171009321
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152
[5-(aminomethyl)-2-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 142503568
methyl 3-[2-(trifluoromethyl)phenyl]spiro[2,3-dihydroindene-1,1'-cyclobutane]-5-carboxylate
CID 118526342
5-fluoro-4-(hydroxymethyl)-2-(trifluoromethyl)benzonitrile
CID 131583247
cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
CID 95002534
2-[2-(2,4-difluorophenyl)-3-[2-(trifluoromethyl)phenyl]oxiran-2-yl]ethanol
CID 142784988
5-(chloromethyl)-6-fluoro-3-[2-(trifluoromethyl)phenyl]-3H-2-benzofuran-1-one
CID 118526445

Frequently Asked Questions

What is the IUPAC name of [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol?
The IUPAC name of [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol (CID 118526363) is [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol.
What is the SMILES notation for [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol?
The canonical SMILES for [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol is OCc1cc2c(cc1F)C(F)(F)CC2c1ccccc1C(F)(F)F.
What is the InChIKey of [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol?
The InChIKey is RNEYHYQMLUBHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F6O/c18-15-6-14-11(5-9(15)8-24)12(7-16(14,19)20)10-3-1-2-4-13(10)17(21,22)23/h1-6,12,24H,7-8H2.
What are the key properties of [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol?
[1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol has a molecular weight of 346.27 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,6-trifluoro-3-[2-(trifluoromethyl)phenyl]-2,3-dihydroinden-5-yl]methanol is sourced from PubChem (CID 118526363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).