[1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine

C10H18F6N2 — CID 103312778

IUPAC[1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine
SMILESCC(C)(C)CCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H18F6N2/c1-8(2,3)5-4-6(18-17)7(9(11,12)13)10(14,15)16/h6-7,18H,4-5,17H2,1-3H3
InChIKeyBRALUUPXHXSFDK-UHFFFAOYSA-N
MW280.26 g/mol
LogP3.39
Rot. Bonds4

About [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine

[1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine (PubChem CID 103312778) has the molecular formula C10H18F6N2 and a molecular weight of 280.26 g/mol. Its IUPAC name is [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine.

Molecular Properties

Compound Name[1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine
PubChem CID103312778
Molecular FormulaC10H18F6N2
Molecular Weight280.26 g/mol
Exact Mass280.14
IUPAC Name[1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine
SMILESCC(C)(C)CCC(NN)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H18F6N2/c1-8(2,3)5-4-6(18-17)7(9(11,12)13)10(14,15)16/h6-7,18H,4-5,17H2,1-3H3
InChIKeyBRALUUPXHXSFDK-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.26
LogP ≤ 53.39
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 [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine?
The IUPAC name of [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine (CID 103312778) is [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine.
What is the SMILES notation for [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine?
The canonical SMILES for [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine is CC(C)(C)CCC(NN)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine?
The InChIKey is BRALUUPXHXSFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F6N2/c1-8(2,3)5-4-6(18-17)7(9(11,12)13)10(14,15)16/h6-7,18H,4-5,17H2,1-3H3.
What are the key properties of [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine?
[1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine has a molecular weight of 280.26 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)heptan-3-yl]hydrazine is sourced from PubChem (CID 103312778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).