(1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine

C9H19F3N2O — CID 103026460

IUPAC(1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine
SMILESCOC(C)(C)CCC(CC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-8(2,15-3)5-4-7(14-13)6-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyBQWYKMFTBNWPCZ-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.98
Rot. Bonds6

About (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine

(1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine (PubChem CID 103026460) has the molecular formula C9H19F3N2O and a molecular weight of 228.26 g/mol. Its IUPAC name is (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine.

Molecular Properties

Compound Name(1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine
PubChem CID103026460
Molecular FormulaC9H19F3N2O
Molecular Weight228.26 g/mol
Exact Mass228.14
IUPAC Name(1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine
SMILESCOC(C)(C)CCC(CC(F)(F)F)NN
InChIInChI=1S/C9H19F3N2O/c1-8(2,15-3)5-4-7(14-13)6-9(10,11)12/h7,14H,4-6,13H2,1-3H3
InChIKeyBQWYKMFTBNWPCZ-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.98
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

(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
[4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026334
[4-Methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026395
[4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026483
(1,1,1-Trifluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
CID 103026599
(1,1-Difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
CID 103027034
(1-Chloro-1,1-difluoro-5-methoxy-5-methylhexan-2-yl)hydrazine
CID 103027038
1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-amine
CID 103032115
[6-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151646

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine?
The IUPAC name of (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine (CID 103026460) is (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine.
What is the SMILES notation for (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine?
The canonical SMILES for (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine is COC(C)(C)CCC(CC(F)(F)F)NN.
What is the InChIKey of (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine?
The InChIKey is BQWYKMFTBNWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F3N2O/c1-8(2,15-3)5-4-7(14-13)6-9(10,11)12/h7,14H,4-6,13H2,1-3H3.
What are the key properties of (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine?
(1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine has a molecular weight of 228.26 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-6-methoxy-6-methylheptan-3-yl)hydrazine is sourced from PubChem (CID 103026460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).