[1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine

C15H30F2N2 — CID 114226069

IUPAC[1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCC(CC(CC1CCCC(F)(F)C1)NN)C(C)(C)C
InChIInChI=1S/C15H30F2N2/c1-11(14(2,3)4)8-13(19-18)9-12-6-5-7-15(16,17)10-12/h11-13,19H,5-10,18H2,1-4H3
InChIKeyBOCADROXUVPNER-UHFFFAOYSA-N
MW276.41 g/mol
LogP4.11
Rot. Bonds5

About [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine

[1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine (PubChem CID 114226069) has the molecular formula C15H30F2N2 and a molecular weight of 276.41 g/mol. Its IUPAC name is [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine
PubChem CID114226069
Molecular FormulaC15H30F2N2
Molecular Weight276.41 g/mol
Exact Mass276.24
IUPAC Name[1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine
SMILESCC(CC(CC1CCCC(F)(F)C1)NN)C(C)(C)C
InChIInChI=1S/C15H30F2N2/c1-11(14(2,3)4)8-13(19-18)9-12-6-5-7-15(16,17)10-12/h11-13,19H,5-10,18H2,1-4H3
InChIKeyBOCADROXUVPNER-UHFFFAOYSA-N
XLogP4.11
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The IUPAC name of [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine (CID 114226069) is [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The canonical SMILES for [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine is CC(CC(CC1CCCC(F)(F)C1)NN)C(C)(C)C.
What is the InChIKey of [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
The InChIKey is BOCADROXUVPNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F2N2/c1-11(14(2,3)4)8-13(19-18)9-12-6-5-7-15(16,17)10-12/h11-13,19H,5-10,18H2,1-4H3.
What are the key properties of [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine?
[1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine has a molecular weight of 276.41 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-difluorocyclohexyl)-4,5,5-trimethylhexan-2-yl]hydrazine is sourced from PubChem (CID 114226069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).