2,2-difluoroethoxymethanamine

C3H7F2NO — CID 162615781

IUPAC2,2-difluoroethoxymethanamine
SMILESNCOCC(F)F
InChIInChI=1S/C3H7F2NO/c4-3(5)1-7-2-6/h3H,1-2,6H2
InChIKeyZJDSWMBUXRXENC-UHFFFAOYSA-N
MW111.09 g/mol
LogP0.18
Rot. Bonds3

About 2,2-difluoroethoxymethanamine

2,2-difluoroethoxymethanamine (PubChem CID 162615781) has the molecular formula C3H7F2NO and a molecular weight of 111.09 g/mol. Its IUPAC name is 2,2-difluoroethoxymethanamine.

Molecular Properties

Compound Name2,2-difluoroethoxymethanamine
PubChem CID162615781
Molecular FormulaC3H7F2NO
Molecular Weight111.09 g/mol
Exact Mass111.05
IUPAC Name2,2-difluoroethoxymethanamine
SMILESNCOCC(F)F
InChIInChI=1S/C3H7F2NO/c4-3(5)1-7-2-6/h3H,1-2,6H2
InChIKeyZJDSWMBUXRXENC-UHFFFAOYSA-N
XLogP0.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.09
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane
CID 172816693
6-(2,2-difluoroethoxy)hexan-1-amine
CID 82006295
2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
CID 103075032
4-(2,2-difluoroethoxy)-2,2-dimethylbutan-1-amine
CID 82003924
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198
N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
CID 103208149
1-(2,2-difluoroethoxy)propan-2-ol
CID 82006687
2-(2,2-difluoroethoxy)acetonitrile
CID 82006298
[2-(2,2-difluoroethoxymethyl)phenyl]methanamine
CID 82005242
1-(2,2-difluoroethoxy)-3-(2-fluoroethoxy)propan-2-ol
CID 154623550

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethoxymethanamine?
The IUPAC name of 2,2-difluoroethoxymethanamine (CID 162615781) is 2,2-difluoroethoxymethanamine.
What is the SMILES notation for 2,2-difluoroethoxymethanamine?
The canonical SMILES for 2,2-difluoroethoxymethanamine is NCOCC(F)F.
What is the InChIKey of 2,2-difluoroethoxymethanamine?
The InChIKey is ZJDSWMBUXRXENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO/c4-3(5)1-7-2-6/h3H,1-2,6H2.
What are the key properties of 2,2-difluoroethoxymethanamine?
2,2-difluoroethoxymethanamine has a molecular weight of 111.09 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethoxymethanamine is sourced from PubChem (CID 162615781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).