[1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine

C9H14F6N2 — CID 103312816

IUPAC[1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESNNC(CC1CCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6N2/c10-8(11,12)7(9(13,14)15)6(17-16)4-5-2-1-3-5/h5-7,17H,1-4,16H2
InChIKeyPRZDXVPFIIELIK-UHFFFAOYSA-N
MW264.21 g/mol
LogP2.75
Rot. Bonds4

About [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine

[1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine (PubChem CID 103312816) has the molecular formula C9H14F6N2 and a molecular weight of 264.21 g/mol. Its IUPAC name is [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
PubChem CID103312816
Molecular FormulaC9H14F6N2
Molecular Weight264.21 g/mol
Exact Mass264.11
IUPAC Name[1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESNNC(CC1CCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H14F6N2/c10-8(11,12)7(9(13,14)15)6(17-16)4-5-2-1-3-5/h5-7,17H,1-4,16H2
InChIKeyPRZDXVPFIIELIK-UHFFFAOYSA-N
XLogP2.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 52.75
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-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The IUPAC name of [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine (CID 103312816) is [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The canonical SMILES for [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine is NNC(CC1CCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
The InChIKey is PRZDXVPFIIELIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F6N2/c10-8(11,12)7(9(13,14)15)6(17-16)4-5-2-1-3-5/h5-7,17H,1-4,16H2.
What are the key properties of [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine?
[1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine has a molecular weight of 264.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclobutyl-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103312816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).