2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine

C17H12F5NO — CID 22115245

IUPAC2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C17H12F5NO/c18-12-5-2-6-13(19)15(12)16-23-14(7-8-24-16)10-3-1-4-11(9-10)17(20,21)22/h1-6,9,14H,7-8H2
InChIKeyXQCZITVGIZSNRV-UHFFFAOYSA-N
MW341.28 g/mol
LogP4.89
Rot. Bonds2

About 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine

2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine (PubChem CID 22115245) has the molecular formula C17H12F5NO and a molecular weight of 341.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
PubChem CID22115245
Molecular FormulaC17H12F5NO
Molecular Weight341.28 g/mol
Exact Mass341.08
IUPAC Name2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine
SMILESFc1cccc(F)c1C1=NC(c2cccc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C17H12F5NO/c18-12-5-2-6-13(19)15(12)16-23-14(7-8-24-16)10-3-1-4-11(9-10)17(20,21)22/h1-6,9,14H,7-8H2
InChIKeyXQCZITVGIZSNRV-UHFFFAOYSA-N
XLogP4.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 19968650
(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 22859115
2,4-Diphenyl-1,3-oxazoline
CID 10889524
4-(4-Tert-butylphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
CID 14853220
2-(2,6-Difluorophenyl)-4-(4-octylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007761
2-(2,6-Difluorophenyl)-4-(4-n-decylphenyl)-2-oxazoline
CID 15007772
2-(2,6-Difluorophenyl)-4-(4-ethylphenyl)-4,5-dihydro-1,3-oxazole
CID 76334202
2-(4-fluorophenyl)-6-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 9547849
2-(3-Methylphenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 9547842
2-(2,6-Difluorophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
CID 44414791
2-(2,6-Difluorophenyl)-4-(4-hexylphenyl)-4,5-dihydro-1,3-oxazole
CID 14853231
2-(2,6-Difluorophenyl)-4-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 14853251

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine?
The IUPAC name of 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine (CID 22115245) is 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine is Fc1cccc(F)c1C1=NC(c2cccc(C(F)(F)F)c2)CCO1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine?
The InChIKey is XQCZITVGIZSNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5NO/c18-12-5-2-6-13(19)15(12)16-23-14(7-8-24-16)10-3-1-4-11(9-10)17(20,21)22/h1-6,9,14H,7-8H2.
What are the key properties of 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine?
2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine has a molecular weight of 341.28 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]-5,6-dihydro-4H-1,3-oxazine is sourced from PubChem (CID 22115245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).