2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine

C7H9F6NO3 — CID 175349695

IUPAC2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine
SMILESFC(F)C(F)OC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO.C2HF3O2/c6-4(7)5(8)10-3-1-9-2-3;3-2(4,5)1(6)7/h3-5,9H,1-2H2;(H,6,7)
InChIKeyICKLOUGHALTKJN-UHFFFAOYSA-N
MW269.14 g/mol
LogP1.17
Rot. Bonds3

About 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine

2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine (PubChem CID 175349695) has the molecular formula C7H9F6NO3 and a molecular weight of 269.14 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine
PubChem CID175349695
Molecular FormulaC7H9F6NO3
Molecular Weight269.14 g/mol
Exact Mass269.05
IUPAC Name2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine
SMILESFC(F)C(F)OC1CNC1.O=C(O)C(F)(F)F
InChIInChI=1S/C5H8F3NO.C2HF3O2/c6-4(7)5(8)10-3-1-9-2-3;3-2(4,5)1(6)7/h3-5,9H,1-2H2;(H,6,7)
InChIKeyICKLOUGHALTKJN-UHFFFAOYSA-N
XLogP1.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine with MolForge

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

Launch Full Analysis

Related Compounds

methyl (2R)-2-(azetidin-3-yloxy)propanoate;2,2,2-trifluoroacetic acid
CID 66742601
3-(difluoromethyl)azetidine;2,2,2-trifluoroacetic acid
CID 155943912
pyrrolidine-3,4-diol;2,2,2-trifluoroacetic acid
CID 175175789
3-(difluoromethylsulfanyl)azetidine;2,2,2-trifluoroacetic acid
CID 146155586
6-(difluoromethoxy)-2-azaspiro[3.3]heptane;2,2,2-trifluoroacetic acid
CID 171397252
3,6-diazabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 175917461
5-(difluoromethoxy)piperidine-3-carboxylic acid
CID 130804723
(3R,4R)-4-methoxypyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 87113929
6-oxa-3-azabicyclo[3.1.1]heptane;2,2,2-trifluoroacetic acid
CID 155294366
piperazine;bis(2,2,2-trifluoroacetic acid)
CID 88726631
2-(azetidin-3-yloxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 166758461
3-but-3-yn-2-ylazetidine;2,2,2-trifluoroacetic acid
CID 170912841

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine?
The IUPAC name of 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine (CID 175349695) is 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine is FC(F)C(F)OC1CNC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine?
The InChIKey is ICKLOUGHALTKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO.C2HF3O2/c6-4(7)5(8)10-3-1-9-2-3;3-2(4,5)1(6)7/h3-5,9H,1-2H2;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine?
2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine has a molecular weight of 269.14 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroacetic acid;3-(1,2,2-trifluoroethoxy)azetidine is sourced from PubChem (CID 175349695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).