2,2-difluoro-3-methoxy-N-methylpropan-1-amine

C5H11F2NO — CID 142385899

IUPAC2,2-difluoro-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(F)(F)COC
InChIInChI=1S/C5H11F2NO/c1-8-3-5(6,7)4-9-2/h8H,3-4H2,1-2H3
InChIKeyQYDVIZNQHIMOCQ-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.49
Rot. Bonds4

About 2,2-difluoro-3-methoxy-N-methylpropan-1-amine

2,2-difluoro-3-methoxy-N-methylpropan-1-amine (PubChem CID 142385899) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 2,2-difluoro-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-methoxy-N-methylpropan-1-amine
PubChem CID142385899
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name2,2-difluoro-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(F)(F)COC
InChIInChI=1S/C5H11F2NO/c1-8-3-5(6,7)4-9-2/h8H,3-4H2,1-2H3
InChIKeyQYDVIZNQHIMOCQ-UHFFFAOYSA-N
XLogP0.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze 2,2-difluoro-3-methoxy-N-methylpropan-1-amine 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

2,2-Difluoro-3-(methylamino)propan-1-ol
CID 55299587
[3-Methoxy-2-(trifluoromethyl)propyl](methyl)amine hydrochloride
CID 177800756
3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43153293
N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491003
N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 64984809
(3-Fluoro-oxetan-3-ylmethyl)methylamine
CID 73977876
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 82004246
4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
CID 83827235
2,2-Difluoro-3-methoxypropan-1-amine
CID 84716052
3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84716193
N-(ethoxymethyl)-2,2,2-trifluoroethanamine
CID 87275278
3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 88936096

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2,2-difluoro-3-methoxy-N-methylpropan-1-amine (CID 142385899) is 2,2-difluoro-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-methoxy-N-methylpropan-1-amine is CNCC(F)(F)COC.
What is the InChIKey of 2,2-difluoro-3-methoxy-N-methylpropan-1-amine?
The InChIKey is QYDVIZNQHIMOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-8-3-5(6,7)4-9-2/h8H,3-4H2,1-2H3.
What are the key properties of 2,2-difluoro-3-methoxy-N-methylpropan-1-amine?
2,2-difluoro-3-methoxy-N-methylpropan-1-amine has a molecular weight of 139.15 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 142385899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).