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

C12H10F5NO2 — CID 70495269

IUPAC(4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
SMILESFc1cccc(C23CO[C@H](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/t7?,10-,11?/m0/s1
InChIKeyJRZUZNGKVZQBOK-QUVIFTBZSA-N
MW295.21 g/mol
LogP2.27
Rot. Bonds1

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

(4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole (PubChem CID 70495269) has the molecular formula C12H10F5NO2 and a molecular weight of 295.21 g/mol. Its IUPAC name is (4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole.

Molecular Properties

Compound Name(4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
PubChem CID70495269
Molecular FormulaC12H10F5NO2
Molecular Weight295.21 g/mol
Exact Mass295.06
IUPAC Name(4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole
SMILESFc1cccc(C23CO[C@H](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/t7?,10-,11?/m0/s1
InChIKeyJRZUZNGKVZQBOK-QUVIFTBZSA-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 (4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The IUPAC name of (4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole (CID 70495269) is (4S)-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 (4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The canonical SMILES for (4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole is Fc1cccc(C23CO[C@H](C(F)(F)F)C2CON3)c1F.
What is the InChIKey of (4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
The InChIKey is JRZUZNGKVZQBOK-QUVIFTBZSA-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/t7?,10-,11?/m0/s1.
What are the key properties of (4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole?
(4S)-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 (4S)-6a-(2,3-difluorophenyl)-4-(trifluoromethyl)-3,3a,4,6-tetrahydro-1H-furo[3,4-c][1,2]oxazole is sourced from PubChem (CID 70495269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).