(5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite

C15H28FN3O — CID 155116285

IUPAC(5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite
SMILESCCCCCCCC(CCCC)c1nc(OF)nn1C
InChIInChI=1S/C15H28FN3O/c1-4-6-8-9-10-12-13(11-7-5-2)14-17-15(20-16)18-19(14)3/h13H,4-12H2,1-3H3
InChIKeyUIPWGJRPLPHGPV-UHFFFAOYSA-N
MW285.41 g/mol
LogP4.71
Rot. Bonds11

About (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite

(5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite (PubChem CID 155116285) has the molecular formula C15H28FN3O and a molecular weight of 285.41 g/mol. Its IUPAC name is (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite.

Molecular Properties

Compound Name(5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite
PubChem CID155116285
Molecular FormulaC15H28FN3O
Molecular Weight285.41 g/mol
Exact Mass285.22
IUPAC Name(5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite
SMILESCCCCCCCC(CCCC)c1nc(OF)nn1C
InChIInChI=1S/C15H28FN3O/c1-4-6-8-9-10-12-13(11-7-5-2)14-17-15(20-16)18-19(14)3/h13H,4-12H2,1-3H3
InChIKeyUIPWGJRPLPHGPV-UHFFFAOYSA-N
XLogP4.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite?
The IUPAC name of (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite (CID 155116285) is (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite.
What is the SMILES notation for (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite?
The canonical SMILES for (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite is CCCCCCCC(CCCC)c1nc(OF)nn1C.
What is the InChIKey of (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite?
The InChIKey is UIPWGJRPLPHGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FN3O/c1-4-6-8-9-10-12-13(11-7-5-2)14-17-15(20-16)18-19(14)3/h13H,4-12H2,1-3H3.
What are the key properties of (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite?
(5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite has a molecular weight of 285.41 g/mol, XLogP of 4.71, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-dodecan-5-yl-1-methyl-1,2,4-triazol-3-yl) hypofluorite is sourced from PubChem (CID 155116285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).