4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine

C10H10F3NO — CID 91215851

IUPAC4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
SMILESCC1ONC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-6-9(14-15-6)7-2-4-8(5-3-7)10(11,12)13/h2-6,9,14H,1H3
InChIKeyVRQZUWNXOKGBFE-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.67
Rot. Bonds1

About 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine

4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine (PubChem CID 91215851) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine.

Molecular Properties

Compound Name4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
PubChem CID91215851
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
SMILESCC1ONC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10F3NO/c1-6-9(14-15-6)7-2-4-8(5-3-7)10(11,12)13/h2-6,9,14H,1H3
InChIKeyVRQZUWNXOKGBFE-UHFFFAOYSA-N
XLogP2.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine?
The IUPAC name of 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine (CID 91215851) is 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine.
What is the SMILES notation for 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine?
The canonical SMILES for 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine is CC1ONC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine?
The InChIKey is VRQZUWNXOKGBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-6-9(14-15-6)7-2-4-8(5-3-7)10(11,12)13/h2-6,9,14H,1H3.
What are the key properties of 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine?
4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine has a molecular weight of 217.19 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine is sourced from PubChem (CID 91215851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).