4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane

C11H20F4N2 — CID 106294820

IUPAC4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane
SMILESCC1CCN(CC(F)(F)C(F)F)CCC(C)N1
InChIInChI=1S/C11H20F4N2/c1-8-3-5-17(6-4-9(2)16-8)7-11(14,15)10(12)13/h8-10,16H,3-7H2,1-2H3
InChIKeyYTILAWSZQMMFME-UHFFFAOYSA-N
MW256.29 g/mol
LogP2.35
Rot. Bonds3

About 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane

4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane (PubChem CID 106294820) has the molecular formula C11H20F4N2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane.

Molecular Properties

Compound Name4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane
PubChem CID106294820
Molecular FormulaC11H20F4N2
Molecular Weight256.29 g/mol
Exact Mass256.16
IUPAC Name4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane
SMILESCC1CCN(CC(F)(F)C(F)F)CCC(C)N1
InChIInChI=1S/C11H20F4N2/c1-8-3-5-17(6-4-9(2)16-8)7-11(14,15)10(12)13/h8-10,16H,3-7H2,1-2H3
InChIKeyYTILAWSZQMMFME-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 103815505
4-(2,2,3,3-tetrafluoropropyl)morpholine
CID 12554036
1-(2-fluoroethyl)-4,6-dimethyl-1,5-diazocane
CID 130504644
N-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidin-3-amine
CID 106294062
2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
CID 130718541
[(2R,3S)-2-methylmorpholin-3-yl]-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 120941906
2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid
CID 119135540
1-(2-cyclohexylethyl)-4,6-dimethyl-1,5-diazocane
CID 54977626
pyrrolidin-3-yl-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]methanone
CID 119887988
(3R)-3-pyrrolidin-1-yl-1-(2,2,3,3-tetrafluoropropyl)piperidine
CID 95634847
ethane;4-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 142345486
2,2-diethyl-5-methyl-1-(2,2,3,3-tetrafluoropropyl)piperazine
CID 112741495

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane?
The IUPAC name of 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane (CID 106294820) is 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane.
What is the SMILES notation for 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane?
The canonical SMILES for 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane is CC1CCN(CC(F)(F)C(F)F)CCC(C)N1.
What is the InChIKey of 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane?
The InChIKey is YTILAWSZQMMFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F4N2/c1-8-3-5-17(6-4-9(2)16-8)7-11(14,15)10(12)13/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane?
4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane has a molecular weight of 256.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1-(2,2,3,3-tetrafluoropropyl)-1,5-diazocane is sourced from PubChem (CID 106294820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).