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

C10H8F6O2 — CID 170999648

IUPAC4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESCCOc1ccc(OC(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F6O2/c1-2-17-6-3-4-8(18-10(14,15)16)7(5-6)9(11,12)13/h3-5H,2H2,1H3
InChIKeyOKPLPJPMZKRPDS-UHFFFAOYSA-N
MW274.16 g/mol
LogP4.00
Rot. Bonds3

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

4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene (PubChem CID 170999648) has the molecular formula C10H8F6O2 and a molecular weight of 274.16 g/mol. Its IUPAC name is 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
PubChem CID170999648
Molecular FormulaC10H8F6O2
Molecular Weight274.16 g/mol
Exact Mass274.04
IUPAC Name4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene
SMILESCCOc1ccc(OC(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F6O2/c1-2-17-6-3-4-8(18-10(14,15)16)7(5-6)9(11,12)13/h3-5H,2H2,1H3
InChIKeyOKPLPJPMZKRPDS-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

4-ethoxy-1-methoxy-2-(trifluoromethyl)benzene
CID 175522284
[4-ethoxy-2-(trifluoromethyl)phenoxy]boronic acid
CID 22035006
[5-ethoxy-2-(trifluoromethoxy)phenoxy]boronic acid
CID 142787488
1-ethoxy-4-iodo-5-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003510
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170999024
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetonitrile
CID 170997989
1-ethoxy-4-ethyl-2-(trifluoromethyl)benzene
CID 118314791
1-(3-bromopropyl)-4-ethoxy-2-(trifluoromethoxy)benzene
CID 118824499
2-ethoxy-5-methyl-1-(trifluoromethoxy)-3-(trifluoromethyl)benzene
CID 171003967
5-ethoxy-1-iodo-3-(trifluoromethoxy)-2-(trifluoromethyl)benzene
CID 171003077
ethyl 2-[4-(trifluoromethoxy)-3-(trifluoromethyl)phenyl]acetate
CID 170999588

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The IUPAC name of 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene (CID 170999648) is 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene is CCOc1ccc(OC(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
The InChIKey is OKPLPJPMZKRPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O2/c1-2-17-6-3-4-8(18-10(14,15)16)7(5-6)9(11,12)13/h3-5H,2H2,1H3.
What are the key properties of 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene?
4-ethoxy-1-(trifluoromethoxy)-2-(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 4-ethoxy-1-(trifluoromethoxy)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 170999648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).