3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine

C10H19F2NO2 — CID 103149317

IUPAC3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine
SMILESCNC(CCOCC(F)F)C1CCOC1
InChIInChI=1S/C10H19F2NO2/c1-13-9(8-2-4-14-6-8)3-5-15-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyXFCOIBAUJSDDJO-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.28
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine

3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine (PubChem CID 103149317) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine
PubChem CID103149317
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine
SMILESCNC(CCOCC(F)F)C1CCOC1
InChIInChI=1S/C10H19F2NO2/c1-13-9(8-2-4-14-6-8)3-5-15-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyXFCOIBAUJSDDJO-UHFFFAOYSA-N
XLogP1.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine (CID 103149317) is 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine is CNC(CCOCC(F)F)C1CCOC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine?
The InChIKey is XFCOIBAUJSDDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-13-9(8-2-4-14-6-8)3-5-15-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine has a molecular weight of 223.26 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-N-methyl-1-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 103149317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).