2-(2,2-difluorobutoxy)-N,N-dimethylethanamine

C8H17F2NO — CID 88582156

IUPAC2-(2,2-difluorobutoxy)-N,N-dimethylethanamine
SMILESCCC(F)(F)COCCN(C)C
InChIInChI=1S/C8H17F2NO/c1-4-8(9,10)7-12-6-5-11(2)3/h4-7H2,1-3H3
InChIKeyDZSHBTNDMUSLLA-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.61
Rot. Bonds6

About 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine

2-(2,2-difluorobutoxy)-N,N-dimethylethanamine (PubChem CID 88582156) has the molecular formula C8H17F2NO and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,2-difluorobutoxy)-N,N-dimethylethanamine
PubChem CID88582156
Molecular FormulaC8H17F2NO
Molecular Weight181.23 g/mol
Exact Mass181.13
IUPAC Name2-(2,2-difluorobutoxy)-N,N-dimethylethanamine
SMILESCCC(F)(F)COCCN(C)C
InChIInChI=1S/C8H17F2NO/c1-4-8(9,10)7-12-6-5-11(2)3/h4-7H2,1-3H3
InChIKeyDZSHBTNDMUSLLA-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.61
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-difluorobutoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine (CID 88582156) is 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine is CCC(F)(F)COCCN(C)C.
What is the InChIKey of 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine?
The InChIKey is DZSHBTNDMUSLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO/c1-4-8(9,10)7-12-6-5-11(2)3/h4-7H2,1-3H3.
What are the key properties of 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine?
2-(2,2-difluorobutoxy)-N,N-dimethylethanamine has a molecular weight of 181.23 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 88582156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).