1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene

C15H10F6O — CID 119024630

IUPAC1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(C(F)(F)F)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6O/c1-22-12-7-3-6-11(15(19,20)21)13(12)9-4-2-5-10(8-9)14(16,17)18/h2-8H,1H3
InChIKeyVLPBGOSXAZNRBR-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.40
Rot. Bonds2

About 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene

1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene (PubChem CID 119024630) has the molecular formula C15H10F6O and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
PubChem CID119024630
Molecular FormulaC15H10F6O
Molecular Weight320.23 g/mol
Exact Mass320.06
IUPAC Name1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
SMILESCOc1cccc(C(F)(F)F)c1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H10F6O/c1-22-12-7-3-6-11(15(19,20)21)13(12)9-4-2-5-10(8-9)14(16,17)18/h2-8H,1H3
InChIKeyVLPBGOSXAZNRBR-UHFFFAOYSA-N
XLogP5.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-bis(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 57112029
2-methoxy-1-methyl-4-[3-(trifluoromethyl)phenyl]benzene
CID 134627143
1-(difluoromethyl)-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 119002321
4-hydroxy-5-methoxy-2-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarbonitrile
CID 131743309
4-chloro-2-methoxy-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627944
1-fluoro-3-methoxy-2-[4-(trifluoromethyl)phenyl]benzene
CID 134631184
1-(difluoromethoxy)-3-fluoro-2-[3-(trifluoromethyl)phenyl]benzene
CID 134630432
3-methoxy-6-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]pyridine
CID 134627212
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
8-methoxy-3-[3-(trifluoromethyl)phenyl]isoquinoline
CID 163359867
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
1-methoxy-2-(2-methoxy-4-propan-2-ylphenyl)-3-(trifluoromethyl)benzene
CID 90878179

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene (CID 119024630) is 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene is COc1cccc(C(F)(F)F)c1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
The InChIKey is VLPBGOSXAZNRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O/c1-22-12-7-3-6-11(15(19,20)21)13(12)9-4-2-5-10(8-9)14(16,17)18/h2-8H,1H3.
What are the key properties of 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene?
1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene has a molecular weight of 320.23 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119024630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).