8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine

C11H21F2N3 — CID 162608093

IUPAC8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine
SMILESCNN(C)C1=C(N)C(F)(F)CCC(C)CC1
InChIInChI=1S/C11H21F2N3/c1-8-4-5-9(16(3)15-2)10(14)11(12,13)7-6-8/h8,15H,4-7,14H2,1-3H3
InChIKeyUNCKDWRKIQAZAL-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.07
Rot. Bonds2

About 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine

8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine (PubChem CID 162608093) has the molecular formula C11H21F2N3 and a molecular weight of 233.31 g/mol. Its IUPAC name is 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine.

Molecular Properties

Compound Name8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine
PubChem CID162608093
Molecular FormulaC11H21F2N3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine
SMILESCNN(C)C1=C(N)C(F)(F)CCC(C)CC1
InChIInChI=1S/C11H21F2N3/c1-8-4-5-9(16(3)15-2)10(14)11(12,13)7-6-8/h8,15H,4-7,14H2,1-3H3
InChIKeyUNCKDWRKIQAZAL-UHFFFAOYSA-N
XLogP2.07
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine?
The IUPAC name of 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine (CID 162608093) is 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine.
What is the SMILES notation for 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine?
The canonical SMILES for 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine is CNN(C)C1=C(N)C(F)(F)CCC(C)CC1.
What is the InChIKey of 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine?
The InChIKey is UNCKDWRKIQAZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3/c1-8-4-5-9(16(3)15-2)10(14)11(12,13)7-6-8/h8,15H,4-7,14H2,1-3H3.
What are the key properties of 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine?
8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine has a molecular weight of 233.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-5-methyl-2-[methyl(methylamino)amino]cycloocten-1-amine is sourced from PubChem (CID 162608093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).