N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine

C9H19F2NO2 — CID 115406800

IUPACN-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCC(F)F)OCC
InChIInChI=1S/C9H19F2NO2/c1-3-13-9(14-4-2)5-6-12-7-8(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyWPVFIWHWIHMGDG-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.63
Rot. Bonds9

About N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine

N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine (PubChem CID 115406800) has the molecular formula C9H19F2NO2 and a molecular weight of 211.25 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine
PubChem CID115406800
Molecular FormulaC9H19F2NO2
Molecular Weight211.25 g/mol
Exact Mass211.14
IUPAC NameN-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine
SMILESCCOC(CCNCC(F)F)OCC
InChIInChI=1S/C9H19F2NO2/c1-3-13-9(14-4-2)5-6-12-7-8(10)11/h8-9,12H,3-7H2,1-2H3
InChIKeyWPVFIWHWIHMGDG-UHFFFAOYSA-N
XLogP1.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-3,3-diethoxypropan-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

N-(3,3-diethoxypropyl)-3,3-diethoxypropan-1-amine
CID 88541962
3,3-diethoxy-N-prop-2-ynylpropan-1-amine
CID 81093552
N-(3,3-diethoxypropyl)-4-methylpentan-1-amine
CID 81095223
N-(3,3-diethoxypropyl)decan-1-amine
CID 81093302
N-(3,3-diethoxypropyl)-5,5,5-trifluoropentan-1-amine
CID 113327405
3,3-diethoxy-N-(2-methylsulfonylethyl)propan-1-amine
CID 81095221
N-(cyclopentylmethyl)-3,3-diethoxypropan-1-amine
CID 81094479
N-(3,3-diethoxypropyl)-7-methyloctan-1-amine
CID 107814867
2-[(3,3-diethoxypropylamino)methyl]-2-ethylbutan-1-ol
CID 106255675
N-(cyclohexylmethyl)-3,3-diethoxypropan-1-amine
CID 81094480
N-(3-butoxypropyl)-3,3-diethoxypropan-1-amine
CID 113481083
2-(3,3-diethoxypropylamino)-1-thiophen-3-ylethanol
CID 106434954

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine (CID 115406800) is N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine is CCOC(CCNCC(F)F)OCC.
What is the InChIKey of N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine?
The InChIKey is WPVFIWHWIHMGDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO2/c1-3-13-9(14-4-2)5-6-12-7-8(10)11/h8-9,12H,3-7H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine?
N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine has a molecular weight of 211.25 g/mol, XLogP of 1.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3,3-diethoxypropan-1-amine is sourced from PubChem (CID 115406800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).