N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine

C10H19F2NO2 — CID 82005894

IUPACN-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(COCC(F)F)O1
InChIInChI=1S/C10H19F2NO2/c1-2-13-5-8-3-4-9(15-8)6-14-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyUFKNJVPREQISJT-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.43
Rot. Bonds7

About N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine

N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine (PubChem CID 82005894) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine
PubChem CID82005894
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC NameN-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine
SMILESCCNCC1CCC(COCC(F)F)O1
InChIInChI=1S/C10H19F2NO2/c1-2-13-5-8-3-4-9(15-8)6-14-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyUFKNJVPREQISJT-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine (CID 82005894) is N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine is CCNCC1CCC(COCC(F)F)O1.
What is the InChIKey of N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine?
The InChIKey is UFKNJVPREQISJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-2-13-5-8-3-4-9(15-8)6-14-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine?
N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine has a molecular weight of 223.26 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,2-difluoroethoxymethyl)oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 82005894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).