ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate

C9H14F3NO2 — CID 175567747

IUPACethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate
SMILESCCOC(=O)C1CN(CC(F)C(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-2-15-9(14)6-3-13(4-6)5-7(10)8(11)12/h6-8H,2-5H2,1H3
InChIKeyALNCKMBSJQJCOV-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.08
Rot. Bonds5

About ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate

ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate (PubChem CID 175567747) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate
PubChem CID175567747
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Nameethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate
SMILESCCOC(=O)C1CN(CC(F)C(F)F)C1
InChIInChI=1S/C9H14F3NO2/c1-2-15-9(14)6-3-13(4-6)5-7(10)8(11)12/h6-8H,2-5H2,1H3
InChIKeyALNCKMBSJQJCOV-UHFFFAOYSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate?
The IUPAC name of ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate (CID 175567747) is ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate?
The canonical SMILES for ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate is CCOC(=O)C1CN(CC(F)C(F)F)C1.
What is the InChIKey of ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate?
The InChIKey is ALNCKMBSJQJCOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-2-15-9(14)6-3-13(4-6)5-7(10)8(11)12/h6-8H,2-5H2,1H3.
What are the key properties of ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate?
ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate has a molecular weight of 225.21 g/mol, XLogP of 1.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2,3,3-trifluoropropyl)azetidine-3-carboxylate is sourced from PubChem (CID 175567747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).