1-prop-2-enyl-3-(trifluoromethyl)azetidine

C7H10F3N — CID 131108091

IUPAC1-prop-2-enyl-3-(trifluoromethyl)azetidine
SMILESC=CCN1CC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3N/c1-2-3-11-4-6(5-11)7(8,9)10/h2,6H,1,3-5H2
InChIKeyIMDWYKNFBNYQTE-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.67
Rot. Bonds2

About 1-prop-2-enyl-3-(trifluoromethyl)azetidine

1-prop-2-enyl-3-(trifluoromethyl)azetidine (PubChem CID 131108091) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 1-prop-2-enyl-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name1-prop-2-enyl-3-(trifluoromethyl)azetidine
PubChem CID131108091
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name1-prop-2-enyl-3-(trifluoromethyl)azetidine
SMILESC=CCN1CC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3N/c1-2-3-11-4-6(5-11)7(8,9)10/h2,6H,1,3-5H2
InChIKeyIMDWYKNFBNYQTE-UHFFFAOYSA-N
XLogP1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-(trifluoromethyl)azetidine?
The IUPAC name of 1-prop-2-enyl-3-(trifluoromethyl)azetidine (CID 131108091) is 1-prop-2-enyl-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 1-prop-2-enyl-3-(trifluoromethyl)azetidine?
The canonical SMILES for 1-prop-2-enyl-3-(trifluoromethyl)azetidine is C=CCN1CC(C(F)(F)F)C1.
What is the InChIKey of 1-prop-2-enyl-3-(trifluoromethyl)azetidine?
The InChIKey is IMDWYKNFBNYQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-2-3-11-4-6(5-11)7(8,9)10/h2,6H,1,3-5H2.
What are the key properties of 1-prop-2-enyl-3-(trifluoromethyl)azetidine?
1-prop-2-enyl-3-(trifluoromethyl)azetidine has a molecular weight of 165.16 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 131108091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).