1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile

C15H7F5N2O2 — CID 172637672

IUPAC1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile
SMILESN#Cc1c(Oc2cncc(F)c2)ccc2c1C(O)C(F)(F)C2(F)F
InChIInChI=1S/C15H7F5N2O2/c16-7-3-8(6-22-5-7)24-11-2-1-10-12(9(11)4-21)13(23)15(19,20)14(10,17)18/h1-3,5-6,13,23H
InChIKeyLOECMSCBSZRCSK-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.66
Rot. Bonds2

About 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile

1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile (PubChem CID 172637672) has the molecular formula C15H7F5N2O2 and a molecular weight of 342.22 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile
PubChem CID172637672
Molecular FormulaC15H7F5N2O2
Molecular Weight342.22 g/mol
Exact Mass342.04
IUPAC Name1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile
SMILESN#Cc1c(Oc2cncc(F)c2)ccc2c1C(O)C(F)(F)C2(F)F
InChIInChI=1S/C15H7F5N2O2/c16-7-3-8(6-22-5-7)24-11-2-1-10-12(9(11)4-21)13(23)15(19,20)14(10,17)18/h1-3,5-6,13,23H
InChIKeyLOECMSCBSZRCSK-UHFFFAOYSA-N
XLogP3.66
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
(R)-7-(difluoromethyl)-2,2,3,3-tetrafluoro-6-((5-fluoropyridin-3-yl)oxy)-2,3-dihydro-1H-inden-1-d-1-ol
CID 172637670
(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
3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
CID 155920127
4-[1-(5-Hydroxypyridin-3-yl)ethoxy]-2-(trifluoromethyl)benzonitrile
CID 16070239
4-[5-(trifluoromethyl)pyridin-2-yl]oxy-2,3-dihydro-1H-inden-1-ol
CID 23157430
4-[1-(5-Methoxypyridin-3-yl)ethoxy]-2-(trifluoromethyl)benzonitrile
CID 57770997
5-(2-Hydroxyethyl)-2-[5-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile
CID 66825473
5-(Hydroxymethyl)-2-((5-(trifluoromethyl)pyridin-3-yl)oxy)benzonitrile
CID 66825544

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile?
The IUPAC name of 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile (CID 172637672) is 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile.
What is the SMILES notation for 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile?
The canonical SMILES for 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile is N#Cc1c(Oc2cncc(F)c2)ccc2c1C(O)C(F)(F)C2(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile?
The InChIKey is LOECMSCBSZRCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F5N2O2/c16-7-3-8(6-22-5-7)24-11-2-1-10-12(9(11)4-21)13(23)15(19,20)14(10,17)18/h1-3,5-6,13,23H.
What are the key properties of 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile?
1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile has a molecular weight of 342.22 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-5-[(5-fluoro-3-pyridinyl)oxy]-3-hydroxy-3H-indene-4-carbonitrile is sourced from PubChem (CID 172637672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).