(3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine

C13H21F2N3O — CID 114073694

IUPAC(3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine
SMILESCCCCCCC(C)Oc1nc(NN)c(F)cc1F
InChIInChI=1S/C13H21F2N3O/c1-3-4-5-6-7-9(2)19-13-11(15)8-10(14)12(17-13)18-16/h8-9H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyIYGNYFDFZULDNR-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.38
Rot. Bonds8

About (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine

(3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine (PubChem CID 114073694) has the molecular formula C13H21F2N3O and a molecular weight of 273.33 g/mol. Its IUPAC name is (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine.

Molecular Properties

Compound Name(3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine
PubChem CID114073694
Molecular FormulaC13H21F2N3O
Molecular Weight273.33 g/mol
Exact Mass273.17
IUPAC Name(3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine
SMILESCCCCCCC(C)Oc1nc(NN)c(F)cc1F
InChIInChI=1S/C13H21F2N3O/c1-3-4-5-6-7-9(2)19-13-11(15)8-10(14)12(17-13)18-16/h8-9H,3-7,16H2,1-2H3,(H,17,18)
InChIKeyIYGNYFDFZULDNR-UHFFFAOYSA-N
XLogP3.38
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3,5-dichloro-6-pentan-2-yloxy-2-pyridinyl)hydrazine
CID 102989713
3,5-difluoro-N-methyl-6-(4-methylpentan-2-yloxy)pyridin-2-amine
CID 114073036
(8-octan-2-yloxyimidazo[1,2-a]pyrazin-6-yl)hydrazine
CID 80914688
(5-fluoro-2-octan-2-yloxy-3-pyridinyl)methanol
CID 114034696
[2-octan-2-yloxy-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 79874084
4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile
CID 63512377
N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719634
(4-octan-2-yloxy-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80906947
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine
CID 80988210
2,6-difluoro-4-octan-2-yloxybenzoic acid
CID 123753531
4-methyl-6-octan-2-yloxypyrimidin-2-amine
CID 80861387

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine?
The IUPAC name of (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine (CID 114073694) is (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine.
What is the SMILES notation for (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine?
The canonical SMILES for (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine is CCCCCCC(C)Oc1nc(NN)c(F)cc1F.
What is the InChIKey of (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine?
The InChIKey is IYGNYFDFZULDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2N3O/c1-3-4-5-6-7-9(2)19-13-11(15)8-10(14)12(17-13)18-16/h8-9H,3-7,16H2,1-2H3,(H,17,18).
What are the key properties of (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine?
(3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine has a molecular weight of 273.33 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-6-octan-2-yloxy-2-pyridinyl)hydrazine is sourced from PubChem (CID 114073694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).