2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol

C16H9F6NO2 — CID 155214337

IUPAC2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol
SMILESOC12CC(F)c3c(Oc4cncc(F)c4)ccc(c31)C(F)(F)C2(F)F
InChIInChI=1S/C16H9F6NO2/c17-7-3-8(6-23-5-7)25-11-2-1-9-13-12(11)10(18)4-14(13,24)16(21,22)15(9,19)20/h1-3,5-6,10,24H,4H2
InChIKeyANLMMGGKZQBCOT-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.36
Rot. Bonds2

About 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol

2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol (PubChem CID 155214337) has the molecular formula C16H9F6NO2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol.

Molecular Properties

Compound Name2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol
PubChem CID155214337
Molecular FormulaC16H9F6NO2
Molecular Weight361.24 g/mol
Exact Mass361.05
IUPAC Name2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol
SMILESOC12CC(F)c3c(Oc4cncc(F)c4)ccc(c31)C(F)(F)C2(F)F
InChIInChI=1S/C16H9F6NO2/c17-7-3-8(6-23-5-7)25-11-2-1-9-13-12(11)10(18)4-14(13,24)16(21,22)15(9,19)20/h1-3,5-6,10,24H,4H2
InChIKeyANLMMGGKZQBCOT-UHFFFAOYSA-N
XLogP4.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-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

5-[[(1S)-2,2-difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl]oxy]pyridine-3-carbonitrile
CID 117947164
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
1,1,2,2-tetrafluoro-5-((5-fluoropyridin-3-yl)oxy)-3-hydroxy-2,3-dihydro-1H-indene-4-carbonitrile-3-d
CID 172637672
5-[[(1S)-2,2-difluoro-7-(fluoromethyl)-1-hydroxy-1,3-dihydroinden-4-yl]oxy]pyridine-3-carbonitrile
CID 122521346
(1R)-7-fluoro-4-[[5-(3-hydroxy-3-methylbutoxy)-2-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-ol
CID 122666338
5-[[2,2-Difluoro-1-hydroxy-7-(trifluoromethyl)-1,3-dihydroinden-4-yl]oxy]pyridine-3-carbonitrile
CID 123146245
4-[[6-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-3-pyridinyl]oxy]-2-methylbutan-2-ol
CID 126703236
(1S)-2,2-difluoro-4-[(5-isocyano-3-pyridinyl)oxy]-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 140735759
5-[[(1S,3R)-2,2,3-trifluoro-1-hydroxy-1,3-dihydroinden-4-yl]oxy]pyridine-3-carbonitrile
CID 141436624

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol?
The IUPAC name of 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol (CID 155214337) is 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol.
What is the SMILES notation for 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol?
The canonical SMILES for 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol is OC12CC(F)c3c(Oc4cncc(F)c4)ccc(c31)C(F)(F)C2(F)F.
What is the InChIKey of 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol?
The InChIKey is ANLMMGGKZQBCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6NO2/c17-7-3-8(6-23-5-7)25-11-2-1-9-13-12(11)10(18)4-14(13,24)16(21,22)15(9,19)20/h1-3,5-6,10,24H,4H2.
What are the key properties of 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol?
2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol has a molecular weight of 361.24 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,6-pentafluoro-8-[(5-fluoro-3-pyridinyl)oxy]tricyclo[5.3.1.04,11]undeca-1(11),7,9-trien-4-ol is sourced from PubChem (CID 155214337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).