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

C9H16F3NO2 — CID 114358326

IUPAC3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
SMILESCC(OC(CO)C(N)C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-5(9(10,11)12)15-7(4-14)8(13)6-2-3-6/h5-8,14H,2-4,13H2,1H3
InChIKeyZGFHJJNELRPIKW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.05
Rot. Bonds5

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

3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol (PubChem CID 114358326) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
PubChem CID114358326
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol
SMILESCC(OC(CO)C(N)C1CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-5(9(10,11)12)15-7(4-14)8(13)6-2-3-6/h5-8,14H,2-4,13H2,1H3
InChIKeyZGFHJJNELRPIKW-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol?
The IUPAC name of 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol (CID 114358326) is 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol.
What is the SMILES notation for 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol?
The canonical SMILES for 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol is CC(OC(CO)C(N)C1CC1)C(F)(F)F.
What is the InChIKey of 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol?
The InChIKey is ZGFHJJNELRPIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-5(9(10,11)12)15-7(4-14)8(13)6-2-3-6/h5-8,14H,2-4,13H2,1H3.
What are the key properties of 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol?
3-amino-3-cyclopropyl-2-(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 3-amino-3-cyclopropyl-2-(1,1,1-trifluoropropan-2-yloxy)propan-1-ol is sourced from PubChem (CID 114358326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).