1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol

C21H24F3NO — CID 22118079

IUPAC1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCCCCc1ccc(C2CCc3c(cc(F)c(O)c3F)C2)nc1F
InChIInChI=1S/C21H24F3NO/c1-2-3-4-5-6-13-8-10-18(25-21(13)24)14-7-9-16-15(11-14)12-17(22)20(26)19(16)23/h8,10,12,14,26H,2-7,9,11H2,1H3
InChIKeyDHCDHMBWAYXMHL-UHFFFAOYSA-N
MW363.42 g/mol
LogP5.60
Rot. Bonds6

About 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol

1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 22118079) has the molecular formula C21H24F3NO and a molecular weight of 363.42 g/mol. Its IUPAC name is 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID22118079
Molecular FormulaC21H24F3NO
Molecular Weight363.42 g/mol
Exact Mass363.18
IUPAC Name1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCCCCCCc1ccc(C2CCc3c(cc(F)c(O)c3F)C2)nc1F
InChIInChI=1S/C21H24F3NO/c1-2-3-4-5-6-13-8-10-18(25-21(13)24)14-7-9-16-15(11-14)12-17(22)20(26)19(16)23/h8,10,12,14,26H,2-7,9,11H2,1H3
InChIKeyDHCDHMBWAYXMHL-UHFFFAOYSA-N
XLogP5.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.42
LogP ≤ 55.60
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-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 22118079) is 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol is CCCCCCc1ccc(C2CCc3c(cc(F)c(O)c3F)C2)nc1F.
What is the InChIKey of 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is DHCDHMBWAYXMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3NO/c1-2-3-4-5-6-13-8-10-18(25-21(13)24)14-7-9-16-15(11-14)12-17(22)20(26)19(16)23/h8,10,12,14,26H,2-7,9,11H2,1H3.
What are the key properties of 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol?
1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 363.42 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-6-(6-fluoro-5-hexyl-2-pyridinyl)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 22118079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).