3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol

C8H15F3N2O — CID 141210953

IUPAC3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol
SMILESOC1(CCNCCC(F)(F)F)CNC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)2-4-12-3-1-7(14)5-13-6-7/h12-14H,1-6H2
InChIKeyASLUVHSXJXICMK-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.25
Rot. Bonds5

About 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol

3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol (PubChem CID 141210953) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol.

Molecular Properties

Compound Name3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol
PubChem CID141210953
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC Name3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol
SMILESOC1(CCNCCC(F)(F)F)CNC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)2-4-12-3-1-7(14)5-13-6-7/h12-14H,1-6H2
InChIKeyASLUVHSXJXICMK-UHFFFAOYSA-N
XLogP0.25
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol?
The IUPAC name of 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol (CID 141210953) is 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol.
What is the SMILES notation for 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol?
The canonical SMILES for 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol is OC1(CCNCCC(F)(F)F)CNC1.
What is the InChIKey of 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol?
The InChIKey is ASLUVHSXJXICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)2-4-12-3-1-7(14)5-13-6-7/h12-14H,1-6H2.
What are the key properties of 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol?
3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol has a molecular weight of 212.21 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3,3-trifluoropropylamino)ethyl]azetidin-3-ol is sourced from PubChem (CID 141210953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).