1,2-bis(trifluoromethyl)benzene;oxolane

C12H12F6O — CID 158991746

IUPAC1,2-bis(trifluoromethyl)benzene;oxolane
SMILESC1CCOC1.FC(F)(F)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H4F6.C4H8O/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14;1-2-4-5-3-1/h1-4H;1-4H2
InChIKeyJQFZWVBTKZNJAX-UHFFFAOYSA-N
MW286.21 g/mol
LogP4.52
Rot. Bonds

About 1,2-bis(trifluoromethyl)benzene;oxolane

1,2-bis(trifluoromethyl)benzene;oxolane (PubChem CID 158991746) has the molecular formula C12H12F6O and a molecular weight of 286.21 g/mol. Its IUPAC name is 1,2-bis(trifluoromethyl)benzene;oxolane.

Molecular Properties

Compound Name1,2-bis(trifluoromethyl)benzene;oxolane
PubChem CID158991746
Molecular FormulaC12H12F6O
Molecular Weight286.21 g/mol
Exact Mass286.08
IUPAC Name1,2-bis(trifluoromethyl)benzene;oxolane
SMILESC1CCOC1.FC(F)(F)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H4F6.C4H8O/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14;1-2-4-5-3-1/h1-4H;1-4H2
InChIKeyJQFZWVBTKZNJAX-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
1-chloro-2-(trifluoromethyl)benzene
CID 161495124
1-chloro-2-(trifluoromethyl)benzene
CID 6921
4-[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclohexyl]morpholine
CID 141014652
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
N-(oxan-4-ylmethyl)-2-(trifluoromethyl)aniline
CID 55209485
disodium;benzene;ditert-butyl(phenyl)silanide;oxolane
CID 73163246
lithium;tert-butyl(diphenyl)silanide;oxolane
CID 11048856
calcium;bis(2,6-ditert-butylphenolate);oxolane
CID 139089230
2-(oxan-4-yl)-3-(trifluoromethyl)phenol
CID 117104332
benzoic acid;oxane
CID 158907979

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(trifluoromethyl)benzene;oxolane?
The IUPAC name of 1,2-bis(trifluoromethyl)benzene;oxolane (CID 158991746) is 1,2-bis(trifluoromethyl)benzene;oxolane.
What is the SMILES notation for 1,2-bis(trifluoromethyl)benzene;oxolane?
The canonical SMILES for 1,2-bis(trifluoromethyl)benzene;oxolane is C1CCOC1.FC(F)(F)c1ccccc1C(F)(F)F.
What is the InChIKey of 1,2-bis(trifluoromethyl)benzene;oxolane?
The InChIKey is JQFZWVBTKZNJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6.C4H8O/c9-7(10,11)5-3-1-2-4-6(5)8(12,13)14;1-2-4-5-3-1/h1-4H;1-4H2.
What are the key properties of 1,2-bis(trifluoromethyl)benzene;oxolane?
1,2-bis(trifluoromethyl)benzene;oxolane has a molecular weight of 286.21 g/mol, XLogP of 4.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(trifluoromethyl)benzene;oxolane is sourced from PubChem (CID 158991746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).