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

C10H10F3NO — CID 91385555

IUPAC3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
SMILESCC1(c2ccc(C(F)(F)F)cc2)CON1
InChIInChI=1S/C10H10F3NO/c1-9(6-15-14-9)7-2-4-8(5-3-7)10(11,12)13/h2-5,14H,6H2,1H3
InChIKeySQGXOCUUDNUYCQ-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.46
Rot. Bonds1

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

3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine (PubChem CID 91385555) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine.

Molecular Properties

Compound Name3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
PubChem CID91385555
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine
SMILESCC1(c2ccc(C(F)(F)F)cc2)CON1
InChIInChI=1S/C10H10F3NO/c1-9(6-15-14-9)7-2-4-8(5-3-7)10(11,12)13/h2-5,14H,6H2,1H3
InChIKeySQGXOCUUDNUYCQ-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
(2R)-2-methyl-2-[4-(trifluoromethyl)phenyl]-3H-furan
CID 132563621
(1S,5S)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 58088333
(1R)-1-methyl-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane
CID 143783814
2-tert-butyl-2-[4-(trifluoromethyl)phenyl]adamantane
CID 15354982
ethane;1-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 145295879
3-methyl-3-[4-(trifluoromethyl)phenyl]oxolan-2-one
CID 121003172
1-(1-chlorocyclopropyl)-4-(trifluoromethyl)benzene
CID 69409357
2-[ethylsulfanyl(difluoro)methyl]-2-[4-(trifluoromethyl)phenyl]oxirane
CID 15523618
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 79834999
(3S,5R)-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]piperidin-4-ol
CID 59131053
1,3,5,7-tetrakis[4-[4-(trifluoromethyl)phenyl]phenyl]adamantane
CID 56647379

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine?
The IUPAC name of 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine (CID 91385555) is 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine.
What is the SMILES notation for 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine?
The canonical SMILES for 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine is CC1(c2ccc(C(F)(F)F)cc2)CON1.
What is the InChIKey of 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine?
The InChIKey is SQGXOCUUDNUYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-9(6-15-14-9)7-2-4-8(5-3-7)10(11,12)13/h2-5,14H,6H2,1H3.
What are the key properties of 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine?
3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine has a molecular weight of 217.19 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[4-(trifluoromethyl)phenyl]oxazetidine is sourced from PubChem (CID 91385555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).