2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol

C10H7F5O2 — CID 145153676

IUPAC2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol
SMILESOc1ccc(C(F)(F)F)c2c1CC(F)(F)C2O
InChIInChI=1S/C10H7F5O2/c11-9(12)3-4-6(16)2-1-5(10(13,14)15)7(4)8(9)17/h1-2,8,16-17H,3H2
InChIKeyIPGPYHWGVBRIAH-UHFFFAOYSA-N
MW254.15 g/mol
LogP2.64
Rot. Bonds

About 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol

2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol (PubChem CID 145153676) has the molecular formula C10H7F5O2 and a molecular weight of 254.15 g/mol. Its IUPAC name is 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol.

Molecular Properties

Compound Name2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol
PubChem CID145153676
Molecular FormulaC10H7F5O2
Molecular Weight254.15 g/mol
Exact Mass254.04
IUPAC Name2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol
SMILESOc1ccc(C(F)(F)F)c2c1CC(F)(F)C2O
InChIInChI=1S/C10H7F5O2/c11-9(12)3-4-6(16)2-1-5(10(13,14)15)7(4)8(9)17/h1-2,8,16-17H,3H2
InChIKeyIPGPYHWGVBRIAH-UHFFFAOYSA-N
XLogP2.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol?
The IUPAC name of 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol (CID 145153676) is 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol.
What is the SMILES notation for 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol?
The canonical SMILES for 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol is Oc1ccc(C(F)(F)F)c2c1CC(F)(F)C2O.
What is the InChIKey of 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol?
The InChIKey is IPGPYHWGVBRIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O2/c11-9(12)3-4-6(16)2-1-5(10(13,14)15)7(4)8(9)17/h1-2,8,16-17H,3H2.
What are the key properties of 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol?
2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol has a molecular weight of 254.15 g/mol, XLogP of 2.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroindene-1,4-diol is sourced from PubChem (CID 145153676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).