N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine

C14H29F2N — CID 88975392

IUPACN-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine
SMILESCC(F)(F)CCCCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C14H29F2N/c1-12(2,3)17-11-13(4,5)9-7-8-10-14(6,15)16/h17H,7-11H2,1-6H3
InChIKeyJOPXHNKKDDGATH-UHFFFAOYSA-N
MW249.39 g/mol
LogP4.62
Rot. Bonds7

About N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine

N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine (PubChem CID 88975392) has the molecular formula C14H29F2N and a molecular weight of 249.39 g/mol. Its IUPAC name is N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine
PubChem CID88975392
Molecular FormulaC14H29F2N
Molecular Weight249.39 g/mol
Exact Mass249.23
IUPAC NameN-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine
SMILESCC(F)(F)CCCCC(C)(C)CNC(C)(C)C
InChIInChI=1S/C14H29F2N/c1-12(2,3)17-11-13(4,5)9-7-8-10-14(6,15)16/h17H,7-11H2,1-6H3
InChIKeyJOPXHNKKDDGATH-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 54.62
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 N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine?
The IUPAC name of N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine (CID 88975392) is N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine.
What is the SMILES notation for N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine?
The canonical SMILES for N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine is CC(F)(F)CCCCC(C)(C)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine?
The InChIKey is JOPXHNKKDDGATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F2N/c1-12(2,3)17-11-13(4,5)9-7-8-10-14(6,15)16/h17H,7-11H2,1-6H3.
What are the key properties of N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine?
N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine has a molecular weight of 249.39 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-7,7-difluoro-2,2-dimethyloctan-1-amine is sourced from PubChem (CID 88975392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).