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'}

Analyze 2-(2,2-difluorobutoxy)-N,N-dimethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fluoroethylcholine (18F)
CID 10103319
Fluoroethylcholine
CID 57466930
2-(3-Fluoropropoxy)ethyl-trimethylazanium
CID 87770911
N,N-diethyl-1,1,2-trifluoro-2-heptafluoropropoxy-ethanamine
CID 100977954
2-Butoxyethyl(trimethyl)azanium
CID 11378660
Trimethyl(2-butoxyethyl)ammonium iodide
CID 13938952
Butylcholine chloride
CID 129844701
N-(2-ethoxyethyl)-N-ethyl-2,2,2-trifluoroethanamine
CID 57680041
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045
N,N-bis(2-ethoxyethyl)-2,2,2-trifluoroethanamine
CID 57680069
2-(2,2-difluoro-3,3-dimethylbutoxy)-N,N-dimethylethanamine
CID 58044637
N,N-Diethyl-2-(2,2,2-trifluoroethoxy)ethan-1-amine
CID 71408315

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).