7,7-difluoro-N,2,2-trimethyloctan-1-amine

C11H23F2N — CID 91307144

IUPAC7,7-difluoro-N,2,2-trimethyloctan-1-amine
SMILESCNCC(C)(C)CCCCC(C)(F)F
InChIInChI=1S/C11H23F2N/c1-10(2,9-14-4)7-5-6-8-11(3,12)13/h14H,5-9H2,1-4H3
InChIKeyORTISIYSNPIMRE-UHFFFAOYSA-N
MW207.31 g/mol
LogP3.45
Rot. Bonds7

About 7,7-difluoro-N,2,2-trimethyloctan-1-amine

7,7-difluoro-N,2,2-trimethyloctan-1-amine (PubChem CID 91307144) has the molecular formula C11H23F2N and a molecular weight of 207.31 g/mol. Its IUPAC name is 7,7-difluoro-N,2,2-trimethyloctan-1-amine.

Molecular Properties

Compound Name7,7-difluoro-N,2,2-trimethyloctan-1-amine
PubChem CID91307144
Molecular FormulaC11H23F2N
Molecular Weight207.31 g/mol
Exact Mass207.18
IUPAC Name7,7-difluoro-N,2,2-trimethyloctan-1-amine
SMILESCNCC(C)(C)CCCCC(C)(F)F
InChIInChI=1S/C11H23F2N/c1-10(2,9-14-4)7-5-6-8-11(3,12)13/h14H,5-9H2,1-4H3
InChIKeyORTISIYSNPIMRE-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-N,2,2-trimethyloctan-1-amine?
The IUPAC name of 7,7-difluoro-N,2,2-trimethyloctan-1-amine (CID 91307144) is 7,7-difluoro-N,2,2-trimethyloctan-1-amine.
What is the SMILES notation for 7,7-difluoro-N,2,2-trimethyloctan-1-amine?
The canonical SMILES for 7,7-difluoro-N,2,2-trimethyloctan-1-amine is CNCC(C)(C)CCCCC(C)(F)F.
What is the InChIKey of 7,7-difluoro-N,2,2-trimethyloctan-1-amine?
The InChIKey is ORTISIYSNPIMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N/c1-10(2,9-14-4)7-5-6-8-11(3,12)13/h14H,5-9H2,1-4H3.
What are the key properties of 7,7-difluoro-N,2,2-trimethyloctan-1-amine?
7,7-difluoro-N,2,2-trimethyloctan-1-amine has a molecular weight of 207.31 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-N,2,2-trimethyloctan-1-amine is sourced from PubChem (CID 91307144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).