3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine

C12H13F4NO — CID 146589611

IUPAC3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESCc1cc(COC2CNC2)c(F)cc1C(F)(F)F
InChIInChI=1S/C12H13F4NO/c1-7-2-8(6-18-9-4-17-5-9)11(13)3-10(7)12(14,15)16/h2-3,9,17H,4-6H2,1H3
InChIKeyLALUMUCSBDBZRN-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.64
Rot. Bonds3

About 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine

3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine (PubChem CID 146589611) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine.

Molecular Properties

Compound Name3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine
PubChem CID146589611
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine
SMILESCc1cc(COC2CNC2)c(F)cc1C(F)(F)F
InChIInChI=1S/C12H13F4NO/c1-7-2-8(6-18-9-4-17-5-9)11(13)3-10(7)12(14,15)16/h2-3,9,17H,4-6H2,1H3
InChIKeyLALUMUCSBDBZRN-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine?
The IUPAC name of 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine (CID 146589611) is 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine.
What is the SMILES notation for 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine?
The canonical SMILES for 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine is Cc1cc(COC2CNC2)c(F)cc1C(F)(F)F.
What is the InChIKey of 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine?
The InChIKey is LALUMUCSBDBZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c1-7-2-8(6-18-9-4-17-5-9)11(13)3-10(7)12(14,15)16/h2-3,9,17H,4-6H2,1H3.
What are the key properties of 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine?
3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine has a molecular weight of 263.23 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]methoxy]azetidine is sourced from PubChem (CID 146589611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).