2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol

C9H17F2NO2 — CID 82008852

IUPAC2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(COCC(F)F)C1CC1
InChIInChI=1S/C9H17F2NO2/c1-12-9(5-13,7-2-3-7)6-14-4-8(10)11/h7-8,12-13H,2-6H2,1H3
InChIKeyPLWZNUXCPYHAPI-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.63
Rot. Bonds7

About 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol

2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol (PubChem CID 82008852) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol
PubChem CID82008852
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol
SMILESCNC(CO)(COCC(F)F)C1CC1
InChIInChI=1S/C9H17F2NO2/c1-12-9(5-13,7-2-3-7)6-14-4-8(10)11/h7-8,12-13H,2-6H2,1H3
InChIKeyPLWZNUXCPYHAPI-UHFFFAOYSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol (CID 82008852) is 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol is CNC(CO)(COCC(F)F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol?
The InChIKey is PLWZNUXCPYHAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-12-9(5-13,7-2-3-7)6-14-4-8(10)11/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol?
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol has a molecular weight of 209.24 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(methylamino)propan-1-ol is sourced from PubChem (CID 82008852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).