(1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine

C9H19F3N2O — CID 105313970

IUPAC(1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine
SMILESCOCC(C)CC(CCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-7(6-15-2)5-8(14-13)3-4-9(10,11)12/h7-8,14H,3-6,13H2,1-2H3
InChIKeyWMKWHMFBYXPIBW-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.83
Rot. Bonds7

About (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine

(1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine (PubChem CID 105313970) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine
PubChem CID105313970
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name(1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine
SMILESCOCC(C)CC(CCC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-7(6-15-2)5-8(14-13)3-4-9(10,11)12/h7-8,14H,3-6,13H2,1-2H3
InChIKeyWMKWHMFBYXPIBW-UHFFFAOYSA-N
XLogP1.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
(1,1,1-Trifluoro-6-methoxy-6-methylheptan-4-yl)hydrazine
CID 103025356
(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
[1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026280
(1,1,1-Trifluoro-7-methoxy-7-methyloctan-4-yl)hydrazine
CID 103026297
(1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine
CID 103026460
[1-Cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151444
[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446
[5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151447
[5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-yl]hydrazine
CID 103151460
[5-Ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine
CID 103151536
[1-Cyclopropyl-5-(2,2,2-trifluoroethoxy)pentan-3-yl]hydrazine
CID 103151571

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine (CID 105313970) is (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine is COCC(C)CC(CCC(F)(F)F)NN.
What is the InChIKey of (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine?
The InChIKey is WMKWHMFBYXPIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-7(6-15-2)5-8(14-13)3-4-9(10,11)12/h7-8,14H,3-6,13H2,1-2H3.
What are the key properties of (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine?
(1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine has a molecular weight of 228.26 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-7-methoxy-6-methylheptan-4-yl)hydrazine is sourced from PubChem (CID 105313970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).