2,2-difluoro-3-hydroxy-3-methylinden-1-one

C10H8F2O2 — CID 130383047

IUPAC2,2-difluoro-3-hydroxy-3-methylinden-1-one
SMILESCC1(O)c2ccccc2C(=O)C1(F)F
InChIInChI=1S/C10H8F2O2/c1-9(14)7-5-3-2-4-6(7)8(13)10(9,11)12/h2-5,14H,1H3
InChIKeyWKASBEIXBYUPKP-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.73
Rot. Bonds

About 2,2-difluoro-3-hydroxy-3-methylinden-1-one

2,2-difluoro-3-hydroxy-3-methylinden-1-one (PubChem CID 130383047) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is 2,2-difluoro-3-hydroxy-3-methylinden-1-one.

Molecular Properties

Compound Name2,2-difluoro-3-hydroxy-3-methylinden-1-one
PubChem CID130383047
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name2,2-difluoro-3-hydroxy-3-methylinden-1-one
SMILESCC1(O)c2ccccc2C(=O)C1(F)F
InChIInChI=1S/C10H8F2O2/c1-9(14)7-5-3-2-4-6(7)8(13)10(9,11)12/h2-5,14H,1H3
InChIKeyWKASBEIXBYUPKP-UHFFFAOYSA-N
XLogP1.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-hydroxy-3-methylinden-1-one?
The IUPAC name of 2,2-difluoro-3-hydroxy-3-methylinden-1-one (CID 130383047) is 2,2-difluoro-3-hydroxy-3-methylinden-1-one.
What is the SMILES notation for 2,2-difluoro-3-hydroxy-3-methylinden-1-one?
The canonical SMILES for 2,2-difluoro-3-hydroxy-3-methylinden-1-one is CC1(O)c2ccccc2C(=O)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-hydroxy-3-methylinden-1-one?
The InChIKey is WKASBEIXBYUPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O2/c1-9(14)7-5-3-2-4-6(7)8(13)10(9,11)12/h2-5,14H,1H3.
What are the key properties of 2,2-difluoro-3-hydroxy-3-methylinden-1-one?
2,2-difluoro-3-hydroxy-3-methylinden-1-one has a molecular weight of 198.17 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-hydroxy-3-methylinden-1-one is sourced from PubChem (CID 130383047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).