1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene

C15H10F6O — CID 174057400

IUPAC1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFC(F)(F)c1ccc(COc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H10F6O/c16-14(17,18)11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)15(19,20)21/h1-8H,9H2
InChIKeyGXWHBNHODGLKRF-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.30
Rot. Bonds3

About 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene

1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 174057400) has the molecular formula C15H10F6O and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID174057400
Molecular FormulaC15H10F6O
Molecular Weight320.23 g/mol
Exact Mass320.06
IUPAC Name1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFC(F)(F)c1ccc(COc2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C15H10F6O/c16-14(17,18)11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)15(19,20)21/h1-8H,9H2
InChIKeyGXWHBNHODGLKRF-UHFFFAOYSA-N
XLogP5.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.23
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-phenylmethoxy-2-(trifluoromethyl)benzene
CID 144801001
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 18551352
2-methoxy-3-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene
CID 177493638
4-[[4-(trifluoromethyl)phenyl]methoxy]-9H-carbazole
CID 175538568
1-phenyl-3-[[2-(trifluoromethyl)phenoxy]methyl]benzene
CID 91062970
2-chloro-4-[[2-(trifluoromethyl)phenoxy]methyl]aniline
CID 117220190
[2-bromo-6-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 19261601
2-fluoro-6-[[4-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 18525684
1-(bromomethyl)-4-(trifluoromethyl)benzene;2-methylphenol;1-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 157147743
[4-[[2-(trifluoromethyl)phenoxy]methyl]-2-pyridinyl]methanamine
CID 63889622
2-methyl-8-[[4-(trifluoromethyl)phenyl]methoxy]quinoline
CID 67980760

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene (CID 174057400) is 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene is FC(F)(F)c1ccc(COc2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is GXWHBNHODGLKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O/c16-14(17,18)11-7-5-10(6-8-11)9-22-13-4-2-1-3-12(13)15(19,20)21/h1-8H,9H2.
What are the key properties of 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 320.23 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 174057400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).