2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene

C15H10F6O — CID 141120008

IUPAC2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(COc2ccccc2)c1
InChIInChI=1S/C15H10F6O/c16-14(17,18)11-6-7-13(15(19,20)21)10(8-11)9-22-12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyYFULEZRWDKRKBK-UHFFFAOYSA-N
MW320.23 g/mol
LogP5.30
Rot. Bonds3

About 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene

2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene (PubChem CID 141120008) has the molecular formula C15H10F6O and a molecular weight of 320.23 g/mol. Its IUPAC name is 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
PubChem CID141120008
Molecular FormulaC15H10F6O
Molecular Weight320.23 g/mol
Exact Mass320.06
IUPAC Name2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
SMILESFC(F)(F)c1ccc(C(F)(F)F)c(COc2ccccc2)c1
InChIInChI=1S/C15H10F6O/c16-14(17,18)11-6-7-13(15(19,20)21)10(8-11)9-22-12-4-2-1-3-5-12/h1-8H,9H2
InChIKeyYFULEZRWDKRKBK-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

5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol
CID 146557451
2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one
CID 118987389
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
1-ethyl-2-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509620
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
CID 69123824
3-[[2-(trifluoromethyl)phenyl]methoxy]benzonitrile
CID 150029896
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
2-[(4-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221218
2-[2,5-bis(trifluoromethyl)phenyl]acetaldehyde
CID 53403463
3-[[2-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 141490494
3-(trifluoromethyl)-4-[[4-(trifluoromethyl)phenoxy]methyl]benzaldehyde
CID 121424163
2-[2,5-bis(trifluoromethyl)phenyl]acetonitrile
CID 2773227

Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene?
The IUPAC name of 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene (CID 141120008) is 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene.
What is the SMILES notation for 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene?
The canonical SMILES for 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene is FC(F)(F)c1ccc(C(F)(F)F)c(COc2ccccc2)c1.
What is the InChIKey of 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene?
The InChIKey is YFULEZRWDKRKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F6O/c16-14(17,18)11-6-7-13(15(19,20)21)10(8-11)9-22-12-4-2-1-3-5-12/h1-8H,9H2.
What are the key properties of 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene?
2-(phenoxymethyl)-1,4-bis(trifluoromethyl)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 2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene is sourced from PubChem (CID 141120008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).