2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol

C11H8F6O — CID 71386671

IUPAC2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol
SMILESCC1(O)c2ccccc2C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C11H8F6O/c1-8(18)6-4-2-3-5-7(6)9(12,10(8,13)14)11(15,16)17/h2-5,18H,1H3
InChIKeyFAERGAYGADHMQA-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds

About 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol

2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol (PubChem CID 71386671) has the molecular formula C11H8F6O and a molecular weight of 270.17 g/mol. Its IUPAC name is 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol.

Molecular Properties

Compound Name2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol
PubChem CID71386671
Molecular FormulaC11H8F6O
Molecular Weight270.17 g/mol
Exact Mass270.05
IUPAC Name2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol
SMILESCC1(O)c2ccccc2C(F)(C(F)(F)F)C1(F)F
InChIInChI=1S/C11H8F6O/c1-8(18)6-4-2-3-5-7(6)9(12,10(8,13)14)11(15,16)17/h2-5,18H,1H3
InChIKeyFAERGAYGADHMQA-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol?
The IUPAC name of 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol (CID 71386671) is 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol.
What is the SMILES notation for 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol?
The canonical SMILES for 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol is CC1(O)c2ccccc2C(F)(C(F)(F)F)C1(F)F.
What is the InChIKey of 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol?
The InChIKey is FAERGAYGADHMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6O/c1-8(18)6-4-2-3-5-7(6)9(12,10(8,13)14)11(15,16)17/h2-5,18H,1H3.
What are the key properties of 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol?
2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol has a molecular weight of 270.17 g/mol, XLogP of 3.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoro-1-methyl-3-(trifluoromethyl)inden-1-ol is sourced from PubChem (CID 71386671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).