1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene

C10H8F6O2 — CID 170999647

IUPAC1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
SMILESCCOc1ccc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C10H8F6O2/c1-2-17-7-4-3-6(9(11,12)13)5-8(7)18-10(14,15)16/h3-5H,2H2,1H3
InChIKeyJINQQHWRXCSTCW-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.00
Rot. Bonds3

About 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene

1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene (PubChem CID 170999647) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
PubChem CID170999647
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
SMILESCCOc1ccc(C(F)(F)F)cc1OC(F)(F)F
InChIInChI=1S/C10H8F6O2/c1-2-17-7-4-3-6(9(11,12)13)5-8(7)18-10(14,15)16/h3-5H,2H2,1H3
InChIKeyJINQQHWRXCSTCW-UHFFFAOYSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008
2-ethoxy-N-ethyl-5-(trifluoromethyl)aniline
CID 82262859
4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 170999648
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 82262869
2-[2-ethoxy-4-(trifluoromethyl)phenyl]ethanamine
CID 135380765
2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol
CID 170999264
ethyl 2-[4-ethoxy-3-(trifluoromethoxy)phenyl]acetate
CID 170998065
2-(3,4-diethoxyphenyl)-2-methylpropan-1-amine
CID 81020856
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
1-ethoxy-2-isocyanato-4-(trifluoromethyl)benzene
CID 169352505

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene (CID 170999647) is 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene is CCOc1ccc(C(F)(F)F)cc1OC(F)(F)F.
What is the InChIKey of 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
The InChIKey is JINQQHWRXCSTCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c1-2-17-7-4-3-6(9(11,12)13)5-8(7)18-10(14,15)16/h3-5H,2H2,1H3.
What are the key properties of 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene?
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene has a molecular weight of 274.16 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 170999647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).