formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine

C12H15F3N2O2 — CID 22451530

IUPACformamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESFC(F)(F)c1cccc(CON2CCC2)c1.NC=O
InChIInChI=1S/C11H12F3NO.CH3NO/c12-11(13,14)10-4-1-3-9(7-10)8-16-15-5-2-6-15;2-1-3/h1,3-4,7H,2,5-6,8H2;1H,(H2,2,3)
InChIKeyDIOXDGCKMKEBEN-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.94
Rot. Bonds3

About formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine

formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine (PubChem CID 22451530) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine.

Molecular Properties

Compound Nameformamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine
PubChem CID22451530
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Nameformamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESFC(F)(F)c1cccc(CON2CCC2)c1.NC=O
InChIInChI=1S/C11H12F3NO.CH3NO/c12-11(13,14)10-4-1-3-9(7-10)8-16-15-5-2-6-15;2-1-3/h1,3-4,7H,2,5-6,8H2;1H,(H2,2,3)
InChIKeyDIOXDGCKMKEBEN-UHFFFAOYSA-N
XLogP1.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine?
The IUPAC name of formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine (CID 22451530) is formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine.
What is the SMILES notation for formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine?
The canonical SMILES for formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine is FC(F)(F)c1cccc(CON2CCC2)c1.NC=O.
What is the InChIKey of formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine?
The InChIKey is DIOXDGCKMKEBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO.CH3NO/c12-11(13,14)10-4-1-3-9(7-10)8-16-15-5-2-6-15;2-1-3/h1,3-4,7H,2,5-6,8H2;1H,(H2,2,3).
What are the key properties of formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine?
formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine has a molecular weight of 276.26 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;1-[[3-(trifluoromethyl)phenyl]methoxy]azetidine is sourced from PubChem (CID 22451530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).