ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene

C19H24F4O — CID 143034150

IUPACethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
SMILESCC.CC.Cc1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H12F4O.2C2H6/c1-10-8-12(15(17,18)19)4-7-14(10)20-9-11-2-5-13(16)6-3-11;2*1-2/h2-8H,9H2,1H3;2*1-2H3
InChIKeyOQOABYLORIEUPI-UHFFFAOYSA-N
MW344.39 g/mol
LogP6.78
Rot. Bonds3

About ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene

ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene (PubChem CID 143034150) has the molecular formula C19H24F4O and a molecular weight of 344.39 g/mol. Its IUPAC name is ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
PubChem CID143034150
Molecular FormulaC19H24F4O
Molecular Weight344.39 g/mol
Exact Mass344.18
IUPAC Nameethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
SMILESCC.CC.Cc1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C15H12F4O.2C2H6/c1-10-8-12(15(17,18)19)4-7-14(10)20-9-11-2-5-13(16)6-3-11;2*1-2/h2-8H,9H2,1H3;2*1-2H3
InChIKeyOQOABYLORIEUPI-UHFFFAOYSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
[5-fluoro-2-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 107694821
2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
1-fluoro-4-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 90934735
1-[3-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanone
CID 161096895
1-(bromomethyl)-4-(trifluoromethyl)benzene;2-methylphenol;1-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 157147743
2-(bromomethyl)-1-[(4-fluorophenyl)methoxy]-4-methylbenzene
CID 63535072
2-[(2-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117220992
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
1-tert-butyl-4-[(2-methylphenoxy)methyl]benzene
CID 59416571
3-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]pyrrolidin-2-one
CID 11440334

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene?
The IUPAC name of ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene (CID 143034150) is ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene?
The canonical SMILES for ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene is CC.CC.Cc1cc(C(F)(F)F)ccc1OCc1ccc(F)cc1.
What is the InChIKey of ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene?
The InChIKey is OQOABYLORIEUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O.2C2H6/c1-10-8-12(15(17,18)19)4-7-14(10)20-9-11-2-5-13(16)6-3-11;2*1-2/h2-8H,9H2,1H3;2*1-2H3.
What are the key properties of ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene?
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene has a molecular weight of 344.39 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 143034150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).