1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol

C12H8F6O — CID 90057089

IUPAC1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol
SMILESOC(c1cccc2c1C=CC2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F6O/c13-11(14,15)10(19,12(16,17)18)9-6-2-4-7-3-1-5-8(7)9/h1-2,4-6,19H,3H2
InChIKeyWFWUBZAHVPXZCB-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.57
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol (PubChem CID 90057089) has the molecular formula C12H8F6O and a molecular weight of 282.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol
PubChem CID90057089
Molecular FormulaC12H8F6O
Molecular Weight282.18 g/mol
Exact Mass282.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol
SMILESOC(c1cccc2c1C=CC2)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F6O/c13-11(14,15)10(19,12(16,17)18)9-6-2-4-7-3-1-5-8(7)9/h1-2,4-6,19H,3H2
InChIKeyWFWUBZAHVPXZCB-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol (CID 90057089) is 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol is OC(c1cccc2c1C=CC2)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol?
The InChIKey is WFWUBZAHVPXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F6O/c13-11(14,15)10(19,12(16,17)18)9-6-2-4-7-3-1-5-8(7)9/h1-2,4-6,19H,3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol has a molecular weight of 282.18 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(1H-inden-4-yl)propan-2-ol is sourced from PubChem (CID 90057089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).