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

C12H22F6N2 — CID 103312758

IUPAC[1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine
SMILESCCCCCCCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H22F6N2/c1-2-3-4-5-6-7-8-9(20-19)10(11(13,14)15)12(16,17)18/h9-10,20H,2-8,19H2,1H3
InChIKeyQRYUGGIEKLTJRM-UHFFFAOYSA-N
MW308.31 g/mol
LogP4.31
Rot. Bonds9

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

[1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine (PubChem CID 103312758) has the molecular formula C12H22F6N2 and a molecular weight of 308.31 g/mol. Its IUPAC name is [1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine
PubChem CID103312758
Molecular FormulaC12H22F6N2
Molecular Weight308.31 g/mol
Exact Mass308.17
IUPAC Name[1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine
SMILESCCCCCCCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H22F6N2/c1-2-3-4-5-6-7-8-9(20-19)10(11(13,14)15)12(16,17)18/h9-10,20H,2-8,19H2,1H3
InChIKeyQRYUGGIEKLTJRM-UHFFFAOYSA-N
XLogP4.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 54.31
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)undecan-3-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine (CID 103312758) is [1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine is CCCCCCCCC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine?
The InChIKey is QRYUGGIEKLTJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F6N2/c1-2-3-4-5-6-7-8-9(20-19)10(11(13,14)15)12(16,17)18/h9-10,20H,2-8,19H2,1H3.
What are the key properties of [1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine?
[1,1,1-trifluoro-2-(trifluoromethyl)undecan-3-yl]hydrazine has a molecular weight of 308.31 g/mol, XLogP of 4.31, 9 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)undecan-3-yl]hydrazine is sourced from PubChem (CID 103312758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).