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

C8H15F2NO2 — CID 114358360

IUPAC3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCC(F)F
InChIInChI=1S/C8H15F2NO2/c9-7(10)4-13-6(3-12)8(11)5-1-2-5/h5-8,12H,1-4,11H2
InChIKeyVBDMMCSZLWXGDH-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.37
Rot. Bonds6

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

3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol (PubChem CID 114358360) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol
PubChem CID114358360
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCC(F)F
InChIInChI=1S/C8H15F2NO2/c9-7(10)4-13-6(3-12)8(11)5-1-2-5/h5-8,12H,1-4,11H2
InChIKeyVBDMMCSZLWXGDH-UHFFFAOYSA-N
XLogP0.37
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol (CID 114358360) is 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol is NC(C1CC1)C(CO)OCC(F)F.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol?
The InChIKey is VBDMMCSZLWXGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c9-7(10)4-13-6(3-12)8(11)5-1-2-5/h5-8,12H,1-4,11H2.
What are the key properties of 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol has a molecular weight of 195.21 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-2-(2,2-difluoroethoxy)propan-1-ol is sourced from PubChem (CID 114358360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).