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

C10H16F6N2O — CID 103312775

IUPAC[4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESNNC(CC1CCOCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6N2O/c11-9(12,13)8(10(14,15)16)7(18-17)5-6-1-3-19-4-2-6/h6-8,18H,1-5,17H2
InChIKeySQLFYMJBIYUQDH-UHFFFAOYSA-N
MW294.24 g/mol
LogP2.38
Rot. Bonds4

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

[4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine (PubChem CID 103312775) has the molecular formula C10H16F6N2O and a molecular weight of 294.24 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine
PubChem CID103312775
Molecular FormulaC10H16F6N2O
Molecular Weight294.24 g/mol
Exact Mass294.12
IUPAC Name[4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine
SMILESNNC(CC1CCOCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6N2O/c11-9(12,13)8(10(14,15)16)7(18-17)5-6-1-3-19-4-2-6/h6-8,18H,1-5,17H2
InChIKeySQLFYMJBIYUQDH-UHFFFAOYSA-N
XLogP2.38
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine (CID 103312775) is [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine is NNC(CC1CCOCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine?
The InChIKey is SQLFYMJBIYUQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6N2O/c11-9(12,13)8(10(14,15)16)7(18-17)5-6-1-3-19-4-2-6/h6-8,18H,1-5,17H2.
What are the key properties of [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine?
[4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine has a molecular weight of 294.24 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4,4-trifluoro-1-(oxan-4-yl)-3-(trifluoromethyl)butan-2-yl]hydrazine is sourced from PubChem (CID 103312775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).