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

C9H16F6N2 — CID 103312759

IUPAC[1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine
SMILESCCCCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6N2/c1-2-3-4-5-6(17-16)7(8(10,11)12)9(13,14)15/h6-7,17H,2-5,16H2,1H3
InChIKeyOPIJFLGMGXGVTC-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.14
Rot. Bonds6

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

[1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine (PubChem CID 103312759) has the molecular formula C9H16F6N2 and a molecular weight of 266.23 g/mol. Its IUPAC name is [1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine
PubChem CID103312759
Molecular FormulaC9H16F6N2
Molecular Weight266.23 g/mol
Exact Mass266.12
IUPAC Name[1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine
SMILESCCCCCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H16F6N2/c1-2-3-4-5-6(17-16)7(8(10,11)12)9(13,14)15/h6-7,17H,2-5,16H2,1H3
InChIKeyOPIJFLGMGXGVTC-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.14
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)octan-3-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine (CID 103312759) is [1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine is CCCCCC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine?
The InChIKey is OPIJFLGMGXGVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F6N2/c1-2-3-4-5-6(17-16)7(8(10,11)12)9(13,14)15/h6-7,17H,2-5,16H2,1H3.
What are the key properties of [1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine?
[1,1,1-trifluoro-2-(trifluoromethyl)octan-3-yl]hydrazine has a molecular weight of 266.23 g/mol, XLogP of 3.14, 6 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)octan-3-yl]hydrazine is sourced from PubChem (CID 103312759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).