3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine

C11H10F5NO — CID 158758126

IUPAC3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESFc1cc(F)c(C(F)(F)F)cc1COC1CNC1
InChIInChI=1S/C11H10F5NO/c12-9-2-10(13)8(11(14,15)16)1-6(9)5-18-7-3-17-4-7/h1-2,7,17H,3-5H2
InChIKeyWENBOHUUXFZBGQ-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.47
Rot. Bonds3

About 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine

3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine (PubChem CID 158758126) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine.

Molecular Properties

Compound Name3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine
PubChem CID158758126
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESFc1cc(F)c(C(F)(F)F)cc1COC1CNC1
InChIInChI=1S/C11H10F5NO/c12-9-2-10(13)8(11(14,15)16)1-6(9)5-18-7-3-17-4-7/h1-2,7,17H,3-5H2
InChIKeyWENBOHUUXFZBGQ-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine?
The IUPAC name of 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine (CID 158758126) is 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine.
What is the SMILES notation for 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine?
The canonical SMILES for 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine is Fc1cc(F)c(C(F)(F)F)cc1COC1CNC1.
What is the InChIKey of 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine?
The InChIKey is WENBOHUUXFZBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c12-9-2-10(13)8(11(14,15)16)1-6(9)5-18-7-3-17-4-7/h1-2,7,17H,3-5H2.
What are the key properties of 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine?
3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine has a molecular weight of 267.20 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4-difluoro-5-(trifluoromethyl)phenyl]methoxy]azetidine is sourced from PubChem (CID 158758126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).