2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

C11H8F5NO — CID 134938645

IUPAC2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NCC(CC(F)(F)F)O2)cc1F
InChIInChI=1S/C11H8F5NO/c12-8-2-1-6(3-9(8)13)10-17-5-7(18-10)4-11(14,15)16/h1-3,7H,4-5H2
InChIKeyRQCISZFVKRBTJM-UHFFFAOYSA-N
MW265.18 g/mol
LogP3.06
Rot. Bonds2

About 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole

2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 134938645) has the molecular formula C11H8F5NO and a molecular weight of 265.18 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
PubChem CID134938645
Molecular FormulaC11H8F5NO
Molecular Weight265.18 g/mol
Exact Mass265.05
IUPAC Name2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole
SMILESFc1ccc(C2=NCC(CC(F)(F)F)O2)cc1F
InChIInChI=1S/C11H8F5NO/c12-8-2-1-6(3-9(8)13)10-17-5-7(18-10)4-11(14,15)16/h1-3,7H,4-5H2
InChIKeyRQCISZFVKRBTJM-UHFFFAOYSA-N
XLogP3.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.18
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-Dimethyl-2-phenyl-2-oxazoline
CID 289239
2-Phenyl-5,6-dihydro-4H-1,3-oxazine
CID 293673
2-Phenyl-2-oxazoline
CID 244030
2,2'-(1,4-Phenylene)bis(4,5-dihydrooxazole)
CID 81929
4,5-Dihydro-2-[3-(trifluoromethyl)phenyl]-oxazole
CID 67984069
Oxazole, 2-(4-fluorophenyl)-4,5-dihydro-4,4-dimethyl-
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Mls002667700
CID 244135
2-(4-Methylphenyl)oxazoline
CID 3770227
2-(4-Propylphenyl)-4,5-dihydro-1,3-oxazole
CID 12793312
2-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 2725909
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
2-Phenyl-4,5,6,7-tetrahydro-1,3-oxazepine
CID 25213916

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole (CID 134938645) is 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is Fc1ccc(C2=NCC(CC(F)(F)F)O2)cc1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is RQCISZFVKRBTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5NO/c12-8-2-1-6(3-9(8)13)10-17-5-7(18-10)4-11(14,15)16/h1-3,7H,4-5H2.
What are the key properties of 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole?
2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 265.18 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 134938645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).