2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine

C8H11F6NO3 — CID 146273113

IUPAC2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine
SMILESCC(OC1CNC1)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO.C2HF3O2/c1-4(6(7,8)9)11-5-2-10-3-5;3-2(4,5)1(6)7/h4-5,10H,2-3H2,1H3;(H,6,7)
InChIKeySGZZVTMOYBMKIV-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.56
Rot. Bonds2

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

2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine (PubChem CID 146273113) has the molecular formula C8H11F6NO3 and a molecular weight of 283.17 g/mol. Its IUPAC name is 2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine.

Molecular Properties

Compound Name2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine
PubChem CID146273113
Molecular FormulaC8H11F6NO3
Molecular Weight283.17 g/mol
Exact Mass283.06
IUPAC Name2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine
SMILESCC(OC1CNC1)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C6H10F3NO.C2HF3O2/c1-4(6(7,8)9)11-5-2-10-3-5;3-2(4,5)1(6)7/h4-5,10H,2-3H2,1H3;(H,6,7)
InChIKeySGZZVTMOYBMKIV-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine?
The IUPAC name of 2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine (CID 146273113) is 2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine.
What is the SMILES notation for 2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine?
The canonical SMILES for 2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine is CC(OC1CNC1)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine?
The InChIKey is SGZZVTMOYBMKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO.C2HF3O2/c1-4(6(7,8)9)11-5-2-10-3-5;3-2(4,5)1(6)7/h4-5,10H,2-3H2,1H3;(H,6,7).
What are the key properties of 2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine?
2,2,2-trifluoroacetic acid;3-(1,1,1-trifluoropropan-2-yloxy)azetidine has a molecular weight of 283.17 g/mol, XLogP of 1.56, 2 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-(1,1,1-trifluoropropan-2-yloxy)azetidine is sourced from PubChem (CID 146273113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).