2-(2,2-difluoroethoxy)-N-methylethanamine

C5H11F2NO — CID 58684435

IUPAC2-(2,2-difluoroethoxy)-N-methylethanamine
SMILESCNCCOCC(F)F
InChIInChI=1S/C5H11F2NO/c1-8-2-3-9-4-5(6)7/h5,8H,2-4H2,1H3
InChIKeyOTUJMUNOKUKKDA-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.49
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-N-methylethanamine

2-(2,2-difluoroethoxy)-N-methylethanamine (PubChem CID 58684435) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-N-methylethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-N-methylethanamine
PubChem CID58684435
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name2-(2,2-difluoroethoxy)-N-methylethanamine
SMILESCNCCOCC(F)F
InChIInChI=1S/C5H11F2NO/c1-8-2-3-9-4-5(6)7/h5,8H,2-4H2,1H3
InChIKeyOTUJMUNOKUKKDA-UHFFFAOYSA-N
XLogP0.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106091903
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407
N-[2-(2,2-difluoroethoxy)ethyl]butan-2-amine
CID 82009436
N-[2-(2,2-difluoroethoxy)ethyl]-4-methylpentan-2-amine
CID 103082762
ethene;N-methyl-2-[2-(methylamino)ethoxy]ethanamine
CID 158445143
N-[2-(2,2-difluoroethoxy)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 102978065
ethane;N-methyl-2-[2-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]ethoxy]ethanamine;molecular hydrogen
CID 166117976
ethane;N-[2-fluoro-3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propyl]formamide
CID 155739614
2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine
CID 120966696
1-[2-(2,2-difluoroethoxy)ethyl]-3-propylurea
CID 103082293
3-(2,2-difluoroethoxy)-N,2-dimethylpropan-1-amine
CID 103075035

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-N-methylethanamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-N-methylethanamine (CID 58684435) is 2-(2,2-difluoroethoxy)-N-methylethanamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-N-methylethanamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-N-methylethanamine is CNCCOCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-N-methylethanamine?
The InChIKey is OTUJMUNOKUKKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-8-2-3-9-4-5(6)7/h5,8H,2-4H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-N-methylethanamine?
2-(2,2-difluoroethoxy)-N-methylethanamine has a molecular weight of 139.15 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-N-methylethanamine is sourced from PubChem (CID 58684435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).