1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine

C10H17FN2O — CID 167277811

IUPAC1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine
SMILESC=C(F)C(=C)N(NC)C1CCCCO1
InChIInChI=1S/C10H17FN2O/c1-8(11)9(2)13(12-3)10-6-4-5-7-14-10/h10,12H,1-2,4-7H2,3H3
InChIKeySVSDIKNICOZMEF-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.95
Rot. Bonds4

About 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine

1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine (PubChem CID 167277811) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine.

Molecular Properties

Compound Name1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine
PubChem CID167277811
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine
SMILESC=C(F)C(=C)N(NC)C1CCCCO1
InChIInChI=1S/C10H17FN2O/c1-8(11)9(2)13(12-3)10-6-4-5-7-14-10/h10,12H,1-2,4-7H2,3H3
InChIKeySVSDIKNICOZMEF-UHFFFAOYSA-N
XLogP1.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine?
The IUPAC name of 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine (CID 167277811) is 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine.
What is the SMILES notation for 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine?
The canonical SMILES for 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine is C=C(F)C(=C)N(NC)C1CCCCO1.
What is the InChIKey of 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine?
The InChIKey is SVSDIKNICOZMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-8(11)9(2)13(12-3)10-6-4-5-7-14-10/h10,12H,1-2,4-7H2,3H3.
What are the key properties of 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine?
1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine has a molecular weight of 200.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobuta-1,3-dien-2-yl)-2-methyl-1-(oxan-2-yl)hydrazine is sourced from PubChem (CID 167277811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).