2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol

C12H15F2NO2 — CID 81269349

IUPAC2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol
SMILESNC(CO)(COc1c(F)cccc1F)C1CC1
InChIInChI=1S/C12H15F2NO2/c13-9-2-1-3-10(14)11(9)17-7-12(15,6-16)8-4-5-8/h1-3,8,16H,4-7,15H2
InChIKeyDDOXSXPMPZOMAZ-UHFFFAOYSA-N
MW243.25 g/mol
LogP1.44
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol

2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol (PubChem CID 81269349) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol
PubChem CID81269349
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol
SMILESNC(CO)(COc1c(F)cccc1F)C1CC1
InChIInChI=1S/C12H15F2NO2/c13-9-2-1-3-10(14)11(9)17-7-12(15,6-16)8-4-5-8/h1-3,8,16H,4-7,15H2
InChIKeyDDOXSXPMPZOMAZ-UHFFFAOYSA-N
XLogP1.44
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol (CID 81269349) is 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol is NC(CO)(COc1c(F)cccc1F)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol?
The InChIKey is DDOXSXPMPZOMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-9-2-1-3-10(14)11(9)17-7-12(15,6-16)8-4-5-8/h1-3,8,16H,4-7,15H2.
What are the key properties of 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol?
2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol has a molecular weight of 243.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol is sourced from PubChem (CID 81269349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).