5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine

C15H10F6N2OS — CID 172796933

IUPAC5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
SMILESFC(F)(F)c1ccc(-c2ccc(C3=NNCOC3)cc2C(F)(F)F)s1
InChIInChI=1S/C15H10F6N2OS/c16-14(17,18)10-5-8(11-6-24-7-22-23-11)1-2-9(10)12-3-4-13(25-12)15(19,20)21/h1-5,22H,6-7H2
InChIKeyQIGBGQYMFGMXLS-UHFFFAOYSA-N
MW380.31 g/mol
LogP4.73
Rot. Bonds2

About 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine

5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine (PubChem CID 172796933) has the molecular formula C15H10F6N2OS and a molecular weight of 380.31 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
PubChem CID172796933
Molecular FormulaC15H10F6N2OS
Molecular Weight380.31 g/mol
Exact Mass380.04
IUPAC Name5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine
SMILESFC(F)(F)c1ccc(-c2ccc(C3=NNCOC3)cc2C(F)(F)F)s1
InChIInChI=1S/C15H10F6N2OS/c16-14(17,18)10-5-8(11-6-24-7-22-23-11)1-2-9(10)12-3-4-13(25-12)15(19,20)21/h1-5,22H,6-7H2
InChIKeyQIGBGQYMFGMXLS-UHFFFAOYSA-N
XLogP4.73
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine with MolForge

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Related Compounds

3-[4-(3,6-dihydro-2H-1,3,4-oxadiazin-5-yl)-2-(trifluoromethyl)phenyl]phenol
CID 137475175
5-[4-[4-(methylamino)phenyl]-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462992
5-[3-(trifluoromethyl)-4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462669
5-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-2-carbaldehyde
CID 60792719
2-[2-fluoro-5-methyl-4-(4-methylphenyl)phenyl]-5-(trifluoromethyl)thiophene
CID 177321444
5-[4-(oxan-4-ylamino)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137463024
5-[4-(2-hydroxypropan-2-yl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137463003
2-[4-phenyl-3-(trifluoromethyl)phenyl]-1-benzothiophene
CID 141101540
3-[5-(trifluoromethyl)thiophen-2-yl]-2,5-dihydro-1H-pyrrole
CID 130949274
5,8-bis(5-bromothiophen-2-yl)-2,3-bis[3-(trifluoromethyl)phenyl]quinoxaline
CID 88981099
5-[4-(3,3-dimethylbutyl)-3-(trifluoromethyl)phenyl]-3,6-dihydro-1,3,4-oxadiazin-2-one
CID 137462816
8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene
CID 173310828

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The IUPAC name of 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine (CID 172796933) is 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine.
What is the SMILES notation for 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The canonical SMILES for 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine is FC(F)(F)c1ccc(-c2ccc(C3=NNCOC3)cc2C(F)(F)F)s1.
What is the InChIKey of 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
The InChIKey is QIGBGQYMFGMXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6N2OS/c16-14(17,18)10-5-8(11-6-24-7-22-23-11)1-2-9(10)12-3-4-13(25-12)15(19,20)21/h1-5,22H,6-7H2.
What are the key properties of 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine?
5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine has a molecular weight of 380.31 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)-4-[5-(trifluoromethyl)thiophen-2-yl]phenyl]-3,6-dihydro-2H-1,3,4-oxadiazine is sourced from PubChem (CID 172796933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).