2,2-difluoro-N-(2-methoxyethyl)ethanamine

C5H11F2NO — CID 47003171

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

About 2,2-difluoro-N-(2-methoxyethyl)ethanamine

2,2-difluoro-N-(2-methoxyethyl)ethanamine (PubChem CID 47003171) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methoxyethyl)ethanamine
PubChem CID47003171
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name2,2-difluoro-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCC(F)F
InChIInChI=1S/C5H11F2NO/c1-9-3-2-8-4-5(6)7/h5,8H,2-4H2,1H3
InChIKeyGGOBQEUBVUEHEL-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

Bis(2-Methoxyethyl)amine
CID 2383
(2-Methoxyethyl)(methyl)amine
CID 300977
N-(2-Methoxyethyl)ethylamine
CID 546877
(2-Ethoxyethyl)(ethyl)amine
CID 520890
(2-Methoxyethyl)(3,3,3-trifluoropropyl)amine
CID 59028600
N-Methyl-[2-(trifluoromethoxy)ethyl]amine hydrochloride
CID 117588089
[2-(Difluoromethoxy)ethyl](methyl)amine hydrochloride
CID 138542985
(2-Methoxyethyl)(2,2,2-trifluoroethyl)amine hydrochloride
CID 47002376
(2,2-Difluoroethyl)(2-methoxyethyl)amine hydrochloride
CID 47003170
Methyl(1,1,1-trifluoro-3-methoxypropan-2-yl)amine hydrochloride
CID 75480536
(2-Methoxy-ethyl)-(2,2,2-trifluoro-ethyl)-amine
CID 6504212
Bis-(2-pentafluoroethyloxy-ethyl)-amine
CID 12046721

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2,2-difluoro-N-(2-methoxyethyl)ethanamine (CID 47003171) is 2,2-difluoro-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2,2-difluoro-N-(2-methoxyethyl)ethanamine is COCCNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methoxyethyl)ethanamine?
The InChIKey is GGOBQEUBVUEHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-9-3-2-8-4-5(6)7/h5,8H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-N-(2-methoxyethyl)ethanamine?
2,2-difluoro-N-(2-methoxyethyl)ethanamine 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-difluoro-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 47003171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).