[1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine

C9H18F2N2O — CID 103151971

IUPAC[1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine
SMILESCC(C)=CC(CCOCC(F)F)NN
InChIInChI=1S/C9H18F2N2O/c1-7(2)5-8(13-12)3-4-14-6-9(10)11/h5,8-9,13H,3-4,6,12H2,1-2H3
InChIKeyGTNCVUBNJNZXBV-UHFFFAOYSA-N
MW208.25 g/mol
LogP1.46
Rot. Bonds7

About [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine

[1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine (PubChem CID 103151971) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine
PubChem CID103151971
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name[1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine
SMILESCC(C)=CC(CCOCC(F)F)NN
InChIInChI=1S/C9H18F2N2O/c1-7(2)5-8(13-12)3-4-14-6-9(10)11/h5,8-9,13H,3-4,6,12H2,1-2H3
InChIKeyGTNCVUBNJNZXBV-UHFFFAOYSA-N
XLogP1.46
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-amine
CID 103148083
1-(2,2-Difluoroethoxy)-5-methylhex-4-en-3-amine
CID 103148966
[2-Methyl-5-(2,2,2-trifluoroethoxy)pent-1-en-3-yl]hydrazine
CID 103151550
[5-Methyl-1-(2,2,2-trifluoroethoxy)hex-4-en-3-yl]hydrazine
CID 103151640
[5-(2,2-Difluoroethoxy)-2-methylpent-1-en-3-yl]hydrazine
CID 103151872
[4-Methyl-1-(2,2,2-trifluoroethoxy)pent-3-en-2-yl]hydrazine
CID 103217615
[4-Methyl-1-(2,2,3,3-tetrafluoropropoxy)pent-3-en-2-yl]hydrazine
CID 103477610
[1-(2-Methoxyethoxy)-5-methylhex-4-en-3-yl]hydrazine
CID 102929796
(1-Methoxy-5-methylhex-4-en-3-yl)hydrazine
CID 105206542
(6-Methoxy-2-methylhept-2-en-4-yl)hydrazine
CID 105267232
(7-Ethoxy-2-methylhept-2-en-4-yl)hydrazine
CID 105319812
(5-Methyl-1-propoxyhex-4-en-3-yl)hydrazine
CID 105319815

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine?
The IUPAC name of [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine (CID 103151971) is [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine.
What is the SMILES notation for [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine?
The canonical SMILES for [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine is CC(C)=CC(CCOCC(F)F)NN.
What is the InChIKey of [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine?
The InChIKey is GTNCVUBNJNZXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-7(2)5-8(13-12)3-4-14-6-9(10)11/h5,8-9,13H,3-4,6,12H2,1-2H3.
What are the key properties of [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine?
[1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine has a molecular weight of 208.25 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethoxy)-5-methylhex-4-en-3-yl]hydrazine is sourced from PubChem (CID 103151971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).