5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol

C16H14F2O — CID 116531754

IUPAC5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1cc(C2(O)CCc3cc(F)ccc32)ccc1F
InChIInChI=1S/C16H14F2O/c1-10-8-12(2-5-15(10)18)16(19)7-6-11-9-13(17)3-4-14(11)16/h2-5,8-9,19H,6-7H2,1H3
InChIKeyJZNXYIYLYYEBSN-UHFFFAOYSA-N
MW260.28 g/mol
LogP3.46
Rot. Bonds1

About 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol

5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol (PubChem CID 116531754) has the molecular formula C16H14F2O and a molecular weight of 260.28 g/mol. Its IUPAC name is 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
PubChem CID116531754
Molecular FormulaC16H14F2O
Molecular Weight260.28 g/mol
Exact Mass260.10
IUPAC Name5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol
SMILESCc1cc(C2(O)CCc3cc(F)ccc32)ccc1F
InChIInChI=1S/C16H14F2O/c1-10-8-12(2-5-15(10)18)16(19)7-6-11-9-13(17)3-4-14(11)16/h2-5,8-9,19H,6-7H2,1H3
InChIKeyJZNXYIYLYYEBSN-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol (CID 116531754) is 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol is Cc1cc(C2(O)CCc3cc(F)ccc32)ccc1F.
What is the InChIKey of 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol?
The InChIKey is JZNXYIYLYYEBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O/c1-10-8-12(2-5-15(10)18)16(19)7-6-11-9-13(17)3-4-14(11)16/h2-5,8-9,19H,6-7H2,1H3.
What are the key properties of 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol?
5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol has a molecular weight of 260.28 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(4-fluoro-3-methylphenyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 116531754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).