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

C8H14F3NO2 — CID 114357804

IUPAC3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)4-14-6(3-13)7(12)5-1-2-5/h5-7,13H,1-4,12H2
InChIKeyMSBMHEYHQIKMAG-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.66
Rot. Bonds5

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

3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol (PubChem CID 114357804) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol
PubChem CID114357804
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol
SMILESNC(C1CC1)C(CO)OCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)4-14-6(3-13)7(12)5-1-2-5/h5-7,13H,1-4,12H2
InChIKeyMSBMHEYHQIKMAG-UHFFFAOYSA-N
XLogP0.66
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.66
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-(2,2,2-trifluoroethoxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol (CID 114357804) is 3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol is NC(C1CC1)C(CO)OCC(F)(F)F.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol?
The InChIKey is MSBMHEYHQIKMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)4-14-6(3-13)7(12)5-1-2-5/h5-7,13H,1-4,12H2.
What are the key properties of 3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(2,2,2-trifluoroethoxy)propan-1-ol has a molecular weight of 213.20 g/mol, XLogP of 0.66, 5 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-(2,2,2-trifluoroethoxy)propan-1-ol is sourced from PubChem (CID 114357804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).