7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol

C14H14F2N2O — CID 166755383

IUPAC7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol
SMILESCc1ncc(-c2cccc3c2C(O)C(F)(F)C3)n1C
InChIInChI=1S/C14H14F2N2O/c1-8-17-7-11(18(8)2)10-5-3-4-9-6-14(15,16)13(19)12(9)10/h3-5,7,13,19H,6H2,1-2H3
InChIKeyLUYKUUMRAZJTRI-UHFFFAOYSA-N
MW264.27 g/mol
LogP2.62
Rot. Bonds1

About 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol

7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol (PubChem CID 166755383) has the molecular formula C14H14F2N2O and a molecular weight of 264.27 g/mol. Its IUPAC name is 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol
PubChem CID166755383
Molecular FormulaC14H14F2N2O
Molecular Weight264.27 g/mol
Exact Mass264.11
IUPAC Name7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol
SMILESCc1ncc(-c2cccc3c2C(O)C(F)(F)C3)n1C
InChIInChI=1S/C14H14F2N2O/c1-8-17-7-11(18(8)2)10-5-3-4-9-6-14(15,16)13(19)12(9)10/h3-5,7,13,19H,6H2,1-2H3
InChIKeyLUYKUUMRAZJTRI-UHFFFAOYSA-N
XLogP2.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol?
The IUPAC name of 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol (CID 166755383) is 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol.
What is the SMILES notation for 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol?
The canonical SMILES for 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol is Cc1ncc(-c2cccc3c2C(O)C(F)(F)C3)n1C.
What is the InChIKey of 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol?
The InChIKey is LUYKUUMRAZJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O/c1-8-17-7-11(18(8)2)10-5-3-4-9-6-14(15,16)13(19)12(9)10/h3-5,7,13,19H,6H2,1-2H3.
What are the key properties of 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol?
7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol has a molecular weight of 264.27 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dimethylimidazol-4-yl)-2,2-difluoro-1,3-dihydroinden-1-ol is sourced from PubChem (CID 166755383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).