2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine

C10H21F2NO — CID 58044637

IUPAC2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCC(F)(F)C(C)(C)C
InChIInChI=1S/C10H21F2NO/c1-9(2,3)10(11,12)8-14-7-6-13(4)5/h6-8H2,1-5H3
InChIKeyMOWQBXRLRNRMIK-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.25
Rot. Bonds5

About 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine

2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine (PubChem CID 58044637) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine
PubChem CID58044637
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine
SMILESCN(C)CCOCC(F)(F)C(C)(C)C
InChIInChI=1S/C10H21F2NO/c1-9(2,3)10(11,12)8-14-7-6-13(4)5/h6-8H2,1-5H3
InChIKeyMOWQBXRLRNRMIK-UHFFFAOYSA-N
XLogP2.25
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine (CID 58044637) is 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine is CN(C)CCOCC(F)(F)C(C)(C)C.
What is the InChIKey of 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine?
The InChIKey is MOWQBXRLRNRMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-9(2,3)10(11,12)8-14-7-6-13(4)5/h6-8H2,1-5H3.
What are the key properties of 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine?
2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine has a molecular weight of 209.28 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 58044637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).