6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole

C12H10F5NO2 — CID 77459406

IUPAC6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
SMILESFc1cccc(C23COC(C(F)(F)F)C2CON3)c1F
InChIInChI=1S/C12H10F5NO2/c13-8-3-1-2-6(9(8)14)11-5-19-10(12(15,16)17)7(11)4-20-18-11/h1-3,7,10,18H,4-5H2
InChIKeyJRZUZNGKVZQBOK-UHFFFAOYSA-N
MW295.21 g/mol
LogP2.27
Rot. Bonds1

About 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole

6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole (PubChem CID 77459406) has the molecular formula C12H10F5NO2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
PubChem CID77459406
Molecular FormulaC12H10F5NO2
Molecular Weight295.21 g/mol
Exact Mass295.06
IUPAC Name6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
SMILESFc1cccc(C23COC(C(F)(F)F)C2CON3)c1F
InChIInChI=1S/C12H10F5NO2/c13-8-3-1-2-6(9(8)14)11-5-19-10(12(15,16)17)7(11)4-20-18-11/h1-3,7,10,18H,4-5H2
InChIKeyJRZUZNGKVZQBOK-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The IUPAC name of 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole (CID 77459406) is 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole.
What is the SMILES notation for 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The canonical SMILES for 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole is Fc1cccc(C23COC(C(F)(F)F)C2CON3)c1F.
What is the InChIKey of 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The InChIKey is JRZUZNGKVZQBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5NO2/c13-8-3-1-2-6(9(8)14)11-5-19-10(12(15,16)17)7(11)4-20-18-11/h1-3,7,10,18H,4-5H2.
What are the key properties of 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole has a molecular weight of 295.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole is sourced from PubChem (CID 77459406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).