[4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine

C12H23F3N2O — CID 105278124

IUPAC[4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine
SMILESCOC1(C(CCC(F)(F)F)NN)CCCCCC1
InChIInChI=1S/C12H23F3N2O/c1-18-11(7-4-2-3-5-8-11)10(17-16)6-9-12(13,14)15/h10,17H,2-9,16H2,1H3
InChIKeyRPTJJJPCJAHYIT-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.90
Rot. Bonds5

About [4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine

[4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine (PubChem CID 105278124) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is [4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine.

Molecular Properties

Compound Name[4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine
PubChem CID105278124
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine
SMILESCOC1(C(CCC(F)(F)F)NN)CCCCCC1
InChIInChI=1S/C12H23F3N2O/c1-18-11(7-4-2-3-5-8-11)10(17-16)6-9-12(13,14)15/h10,17H,2-9,16H2,1H3
InChIKeyRPTJJJPCJAHYIT-UHFFFAOYSA-N
XLogP2.90
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.90
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-(1-methoxycycloheptyl)butyl]hydrazine?
The IUPAC name of [4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine (CID 105278124) is [4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine.
What is the SMILES notation for [4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine?
The canonical SMILES for [4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine is COC1(C(CCC(F)(F)F)NN)CCCCCC1.
What is the InChIKey of [4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine?
The InChIKey is RPTJJJPCJAHYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-18-11(7-4-2-3-5-8-11)10(17-16)6-9-12(13,14)15/h10,17H,2-9,16H2,1H3.
What are the key properties of [4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine?
[4,4,4-trifluoro-1-(1-methoxycycloheptyl)butyl]hydrazine has a molecular weight of 268.32 g/mol, XLogP of 2.90, 5 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-(1-methoxycycloheptyl)butyl]hydrazine is sourced from PubChem (CID 105278124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).