(3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one

C11H11FO2 — CID 155058810

IUPAC(3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one
SMILESCC1(F)C(=O)c2ccccc2[C@@]1(C)O
InChIInChI=1S/C11H11FO2/c1-10(12)9(13)7-5-3-4-6-8(7)11(10,2)14/h3-6,14H,1-2H3/t10?,11-/m1/s1
InChIKeyHOASUCLNHDVSQU-RRKGBCIJSA-N
MW194.21 g/mol
LogP1.82
Rot. Bonds

About (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one

(3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one (PubChem CID 155058810) has the molecular formula C11H11FO2 and a molecular weight of 194.21 g/mol. Its IUPAC name is (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one.

Molecular Properties

Compound Name(3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one
PubChem CID155058810
Molecular FormulaC11H11FO2
Molecular Weight194.21 g/mol
Exact Mass194.07
IUPAC Name(3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one
SMILESCC1(F)C(=O)c2ccccc2[C@@]1(C)O
InChIInChI=1S/C11H11FO2/c1-10(12)9(13)7-5-3-4-6-8(7)11(10,2)14/h3-6,14H,1-2H3/t10?,11-/m1/s1
InChIKeyHOASUCLNHDVSQU-RRKGBCIJSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one?
The IUPAC name of (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one (CID 155058810) is (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one.
What is the SMILES notation for (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one?
The canonical SMILES for (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one is CC1(F)C(=O)c2ccccc2[C@@]1(C)O.
What is the InChIKey of (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one?
The InChIKey is HOASUCLNHDVSQU-RRKGBCIJSA-N. The full InChI is InChI=1S/C11H11FO2/c1-10(12)9(13)7-5-3-4-6-8(7)11(10,2)14/h3-6,14H,1-2H3/t10?,11-/m1/s1.
What are the key properties of (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one?
(3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one has a molecular weight of 194.21 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-fluoro-3-hydroxy-2,3-dimethylinden-1-one is sourced from PubChem (CID 155058810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).