3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid

C7H7F6NO3 — CID 87462257

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(OC(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C7H7F6NO3/c8-6(9,10)4(7(11,12)13)17-3-1-14(2-3)5(15)16/h3-4H,1-2H2,(H,15,16)
InChIKeyBWURZHIQSIOGGS-UHFFFAOYSA-N
MW267.12 g/mol
LogP1.86
Rot. Bonds2

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid (PubChem CID 87462257) has the molecular formula C7H7F6NO3 and a molecular weight of 267.12 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid
PubChem CID87462257
Molecular FormulaC7H7F6NO3
Molecular Weight267.12 g/mol
Exact Mass267.03
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid
SMILESO=C(O)N1CC(OC(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C7H7F6NO3/c8-6(9,10)4(7(11,12)13)17-3-1-14(2-3)5(15)16/h3-4H,1-2H2,(H,15,16)
InChIKeyBWURZHIQSIOGGS-UHFFFAOYSA-N
XLogP1.86
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid (CID 87462257) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid is O=C(O)N1CC(OC(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid?
The InChIKey is BWURZHIQSIOGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F6NO3/c8-6(9,10)4(7(11,12)13)17-3-1-14(2-3)5(15)16/h3-4H,1-2H2,(H,15,16).
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid has a molecular weight of 267.12 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)azetidine-1-carboxylic acid is sourced from PubChem (CID 87462257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).