3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine

C10H19F2NO2 — CID 103149014

IUPAC3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOCC1
InChIInChI=1S/C10H19F2NO2/c11-10(12)7-15-6-3-9(13)8-1-4-14-5-2-8/h8-10H,1-7,13H2
InChIKeyWHAUVYHREDUPQX-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.41
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine

3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine (PubChem CID 103149014) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine
PubChem CID103149014
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine
SMILESNC(CCOCC(F)F)C1CCOCC1
InChIInChI=1S/C10H19F2NO2/c11-10(12)7-15-6-3-9(13)8-1-4-14-5-2-8/h8-10H,1-7,13H2
InChIKeyWHAUVYHREDUPQX-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.41
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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Related Compounds

2,2,2-Trifluoro-1-(tetrahydro-2H-pyran-3-YL)ethanamine
CID 63896810
2,2,2-Trifluoro-1-(oxan-4-yl)ethan-1-amine
CID 63897715
Ethane;2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 153576800
1-(Oxan-4-yl)propan-1-amine
CID 56828166
2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
5-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62602777
4-[3-(2,2,2-Trifluoroethoxy)propyl]oxan-4-amine
CID 63220228
4-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63562076
3,3,3-Trifluoro-1-(oxolan-3-yl)propan-1-amine
CID 63562852
3,3,3-trifluoro-1-(tetrahydro-2H-pyran-4-yl)propan-1-amine
CID 63935479
3,3,3-trifluoro-N-methyl-1-(oxan-4-yl)propan-1-amine
CID 63935673
N-ethyl-3,3,3-trifluoro-1-(oxan-4-yl)propan-1-amine
CID 63935674

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine (CID 103149014) is 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine is NC(CCOCC(F)F)C1CCOCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine?
The InChIKey is WHAUVYHREDUPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c11-10(12)7-15-6-3-9(13)8-1-4-14-5-2-8/h8-10H,1-7,13H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine?
3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine has a molecular weight of 223.26 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-amine is sourced from PubChem (CID 103149014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).