[1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine

C13H24F6N2 — CID 103312753

IUPAC[1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine
SMILESCCCCCCCCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H24F6N2/c1-2-3-4-5-6-7-8-9-10(21-20)11(12(14,15)16)13(17,18)19/h10-11,21H,2-9,20H2,1H3
InChIKeyJRYHJNQKIGPHCF-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.70
Rot. Bonds10

About [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine

[1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine (PubChem CID 103312753) has the molecular formula C13H24F6N2 and a molecular weight of 322.34 g/mol. Its IUPAC name is [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine
PubChem CID103312753
Molecular FormulaC13H24F6N2
Molecular Weight322.34 g/mol
Exact Mass322.18
IUPAC Name[1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine
SMILESCCCCCCCCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H24F6N2/c1-2-3-4-5-6-7-8-9-10(21-20)11(12(14,15)16)13(17,18)19/h10-11,21H,2-9,20H2,1H3
InChIKeyJRYHJNQKIGPHCF-UHFFFAOYSA-N
XLogP4.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine (CID 103312753) is [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine is CCCCCCCCCC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine?
The InChIKey is JRYHJNQKIGPHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F6N2/c1-2-3-4-5-6-7-8-9-10(21-20)11(12(14,15)16)13(17,18)19/h10-11,21H,2-9,20H2,1H3.
What are the key properties of [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine?
[1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine has a molecular weight of 322.34 g/mol, XLogP of 4.70, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-2-(trifluoromethyl)dodecan-3-yl]hydrazine is sourced from PubChem (CID 103312753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).