1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol

C15H11F3O — CID 83070046

IUPAC1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(c2ccc(F)c(F)c2)CCc2c(F)cccc21
InChIInChI=1S/C15H11F3O/c16-12-3-1-2-11-10(12)6-7-15(11,19)9-4-5-13(17)14(18)8-9/h1-5,8,19H,6-7H2
InChIKeyXXGKVKFGDDRXAL-UHFFFAOYSA-N
MW264.25 g/mol
LogP3.29
Rot. Bonds1

About 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol

1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol (PubChem CID 83070046) has the molecular formula C15H11F3O and a molecular weight of 264.25 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
PubChem CID83070046
Molecular FormulaC15H11F3O
Molecular Weight264.25 g/mol
Exact Mass264.08
IUPAC Name1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol
SMILESOC1(c2ccc(F)c(F)c2)CCc2c(F)cccc21
InChIInChI=1S/C15H11F3O/c16-12-3-1-2-11-10(12)6-7-15(11,19)9-4-5-13(17)14(18)8-9/h1-5,8,19H,6-7H2
InChIKeyXXGKVKFGDDRXAL-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The IUPAC name of 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol (CID 83070046) is 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol is OC1(c2ccc(F)c(F)c2)CCc2c(F)cccc21.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol?
The InChIKey is XXGKVKFGDDRXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O/c16-12-3-1-2-11-10(12)6-7-15(11,19)9-4-5-13(17)14(18)8-9/h1-5,8,19H,6-7H2.
What are the key properties of 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol?
1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol has a molecular weight of 264.25 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-fluoro-2,3-dihydroinden-1-ol is sourced from PubChem (CID 83070046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).