2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol

C9H16F3NO2 — CID 66277704

IUPAC2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
SMILESCC(OCC(N)(CO)C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(9(10,11)12)15-5-8(13,4-14)7-2-3-7/h6-7,14H,2-5,13H2,1H3
InChIKeyKWQIIEWJMFCICJ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.05
Rot. Bonds5

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

2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol (PubChem CID 66277704) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
PubChem CID66277704
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
SMILESCC(OCC(N)(CO)C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-6(9(10,11)12)15-5-8(13,4-14)7-2-3-7/h6-7,14H,2-5,13H2,1H3
InChIKeyKWQIIEWJMFCICJ-UHFFFAOYSA-N
XLogP1.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol?
The IUPAC name of 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol (CID 66277704) is 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol is CC(OCC(N)(CO)C1CC1)C(F)(F)F.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol?
The InChIKey is KWQIIEWJMFCICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-6(9(10,11)12)15-5-8(13,4-14)7-2-3-7/h6-7,14H,2-5,13H2,1H3.
What are the key properties of 2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol?
2-amino-2-cyclopropyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol has a molecular weight of 227.23 g/mol, XLogP of 1.05, 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-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol is sourced from PubChem (CID 66277704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).