3-(2,2-difluoroethoxy)-N-propyloxan-4-amine

C10H19F2NO2 — CID 82005049

IUPAC3-(2,2-difluoroethoxy)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OCC(F)F
InChIInChI=1S/C10H19F2NO2/c1-2-4-13-8-3-5-14-6-9(8)15-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyHBMUQQOKMFUGPK-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.43
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine

3-(2,2-difluoroethoxy)-N-propyloxan-4-amine (PubChem CID 82005049) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-N-propyloxan-4-amine
PubChem CID82005049
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name3-(2,2-difluoroethoxy)-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1OCC(F)F
InChIInChI=1S/C10H19F2NO2/c1-2-4-13-8-3-5-14-6-9(8)15-7-10(11)12/h8-10,13H,2-7H2,1H3
InChIKeyHBMUQQOKMFUGPK-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine?
The IUPAC name of 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine (CID 82005049) is 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine is CCCNC1CCOCC1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine?
The InChIKey is HBMUQQOKMFUGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c1-2-4-13-8-3-5-14-6-9(8)15-7-10(11)12/h8-10,13H,2-7H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-N-propyloxan-4-amine?
3-(2,2-difluoroethoxy)-N-propyloxan-4-amine has a molecular weight of 223.26 g/mol, XLogP of 1.43, 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)-N-propyloxan-4-amine is sourced from PubChem (CID 82005049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).