1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol

C21H22F5NO — CID 70231837

IUPAC1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol
SMILESCCCCCCc1ccc(C2CCc3c(cc(F)c(O)c3F)C2(F)F)nc1F
InChIInChI=1S/C21H22F5NO/c1-2-3-4-5-6-12-7-10-17(27-20(12)24)14-9-8-13-15(21(14,25)26)11-16(22)19(28)18(13)23/h7,10-11,14,28H,2-6,8-9H2,1H3
InChIKeyAXNRYXLEGOKACX-UHFFFAOYSA-N
MW399.40 g/mol
LogP6.15
Rot. Bonds6

About 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol

1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol (PubChem CID 70231837) has the molecular formula C21H22F5NO and a molecular weight of 399.40 g/mol. Its IUPAC name is 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol.

Molecular Properties

Compound Name1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol
PubChem CID70231837
Molecular FormulaC21H22F5NO
Molecular Weight399.40 g/mol
Exact Mass399.16
IUPAC Name1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol
SMILESCCCCCCc1ccc(C2CCc3c(cc(F)c(O)c3F)C2(F)F)nc1F
InChIInChI=1S/C21H22F5NO/c1-2-3-4-5-6-12-7-10-17(27-20(12)24)14-9-8-13-15(21(14,25)26)11-16(22)19(28)18(13)23/h7,10-11,14,28H,2-6,8-9H2,1H3
InChIKeyAXNRYXLEGOKACX-UHFFFAOYSA-N
XLogP6.15
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.40
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol?
The IUPAC name of 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol (CID 70231837) is 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol.
What is the SMILES notation for 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol?
The canonical SMILES for 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol is CCCCCCc1ccc(C2CCc3c(cc(F)c(O)c3F)C2(F)F)nc1F.
What is the InChIKey of 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol?
The InChIKey is AXNRYXLEGOKACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5NO/c1-2-3-4-5-6-12-7-10-17(27-20(12)24)14-9-8-13-15(21(14,25)26)11-16(22)19(28)18(13)23/h7,10-11,14,28H,2-6,8-9H2,1H3.
What are the key properties of 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol?
1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol has a molecular weight of 399.40 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,5-tetrafluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-7,8-dihydro-6H-naphthalen-2-ol is sourced from PubChem (CID 70231837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).