(1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol

C15H8F7NO2 — CID 172637670

IUPAC(1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol
SMILESO[C@@H]1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H8F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,12-13,24H/t12-/m1/s1
InChIKeyFCDZKPYPYGFGET-GFCCVEGCSA-N
MW367.22 g/mol
LogP4.72
Rot. Bonds3

About (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol

(1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol (PubChem CID 172637670) has the molecular formula C15H8F7NO2 and a molecular weight of 367.22 g/mol. Its IUPAC name is (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol.

Molecular Properties

Compound Name(1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol
PubChem CID172637670
Molecular FormulaC15H8F7NO2
Molecular Weight367.22 g/mol
Exact Mass367.04
IUPAC Name(1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol
SMILESO[C@@H]1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F
InChIInChI=1S/C15H8F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,12-13,24H/t12-/m1/s1
InChIKeyFCDZKPYPYGFGET-GFCCVEGCSA-N
XLogP4.72
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-2,2-difluoro-4-(5-fluoropyridin-3-yl)oxy-7-(trifluoromethylsulfonyl)-1,3-dihydroinden-1-ol
CID 117947073
(1R,3S)-1,2,2-trifluoro-7-(5-fluoropyridin-3-yl)oxy-3-hydroxy-1,3-dihydroindene-4-sulfonamide
CID 117947159
5-[[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl]oxy]pyridine-3-carbonitrile
CID 117947164
1,3,3,4,4-pentafluoro-7-((5-fluoropyridin-3-yl)oxy)-1,2,3,4-tetrahydro-2aH-cyclopenta[cd]inden-2a-ol
CID 155214337
5-((4-(difluoromethyl)-1,1,2,2-tetrafluoro-3-hydroxy-2,3-dihydro-1H-inden-5-yl)oxy)nicotinonitrile
CID 146523514
7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-(5-fluoropyridin-3-yl)oxy-1H-inden-1-ol
CID 146523521
(S)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-((5-fluoropyridin-3-yl)oxy)-2,3-dihydro-1H-inden-1-d-1-ol
CID 172637671
1,1,2,2-tetrafluoro-5-((5-fluoropyridin-3-yl)oxy)-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile-3-d
CID 172637672
2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(trifluoromethyl)pyridine
CID 2801313
2-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-5-(trifluoromethyl)pyridine
CID 2801314
(2-Fluoro-5-(5-methoxypyridin-3-yl)phenyl)methanol
CID 56720679
Benzenemethanol, 4-(3-pyridinyloxy)-3-(trifluoromethyl)-
CID 10923576

Frequently Asked Questions

What is the IUPAC name of (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol?
The IUPAC name of (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol (CID 172637670) is (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol.
What is the SMILES notation for (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol?
The canonical SMILES for (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol is O[C@@H]1c2c(ccc(Oc3cncc(F)c3)c2C(F)F)C(F)(F)C1(F)F.
What is the InChIKey of (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol?
The InChIKey is FCDZKPYPYGFGET-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H8F7NO2/c16-6-3-7(5-23-4-6)25-9-2-1-8-10(11(9)13(17)18)12(24)15(21,22)14(8,19)20/h1-5,12-13,24H/t12-/m1/s1.
What are the key properties of (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol?
(1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol has a molecular weight of 367.22 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-[(5-fluoro-3-pyridinyl)oxy]-1H-inden-1-ol is sourced from PubChem (CID 172637670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).