3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole

C11H7F6NO — CID 123473479

IUPAC3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2=CCON2)c(C(F)(F)F)c1
InChIInChI=1S/C11H7F6NO/c12-10(13,14)6-1-2-7(9-3-4-19-18-9)8(5-6)11(15,16)17/h1-3,5,18H,4H2
InChIKeyNULUYVQXRQFRLG-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.60
Rot. Bonds1

About 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole

3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (PubChem CID 123473479) has the molecular formula C11H7F6NO and a molecular weight of 283.17 g/mol. Its IUPAC name is 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
PubChem CID123473479
Molecular FormulaC11H7F6NO
Molecular Weight283.17 g/mol
Exact Mass283.04
IUPAC Name3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
SMILESFC(F)(F)c1ccc(C2=CCON2)c(C(F)(F)F)c1
InChIInChI=1S/C11H7F6NO/c12-10(13,14)6-1-2-7(9-3-4-19-18-9)8(5-6)11(15,16)17/h1-3,5,18H,4H2
InChIKeyNULUYVQXRQFRLG-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57046147
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57177311
N-prop-2-ynoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 57223065
1-[4-fluoro-2-(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57261926
N-methoxy-1-[2-(trifluoromethyl)phenyl]ethenamine
CID 57278289
1-[2,4-bis(trifluoromethyl)phenyl]-N-methoxyethenamine
CID 57317397
3-[3-(Trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123323469
5-Methyl-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole
CID 123667564
1-(2,5-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82710917
1-(3,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711210
1-(2,4-dimethylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82711922
1-(2,4-dimethylphenyl)-N-methoxyethenamine
CID 57012914

Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole (CID 123473479) is 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is FC(F)(F)c1ccc(C2=CCON2)c(C(F)(F)F)c1.
What is the InChIKey of 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
The InChIKey is NULUYVQXRQFRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F6NO/c12-10(13,14)6-1-2-7(9-3-4-19-18-9)8(5-6)11(15,16)17/h1-3,5,18H,4H2.
What are the key properties of 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole?
3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole has a molecular weight of 283.17 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis(trifluoromethyl)phenyl]-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 123473479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).