1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene

C10H9F5O2 — CID 158664029

IUPAC1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
SMILESCCOc1ccc(OCC(F)(F)F)c(F)c1F
InChIInChI=1S/C10H9F5O2/c1-2-16-6-3-4-7(9(12)8(6)11)17-5-10(13,14)15/h3-4H,2,5H2,1H3
InChIKeyPJCGXEJJYKPPQD-UHFFFAOYSA-N
MW256.17 g/mol
LogP3.30
Rot. Bonds4

About 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene

1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene (PubChem CID 158664029) has the molecular formula C10H9F5O2 and a molecular weight of 256.17 g/mol. Its IUPAC name is 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
PubChem CID158664029
Molecular FormulaC10H9F5O2
Molecular Weight256.17 g/mol
Exact Mass256.05
IUPAC Name1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene
SMILESCCOc1ccc(OCC(F)(F)F)c(F)c1F
InChIInChI=1S/C10H9F5O2/c1-2-16-6-3-4-7(9(12)8(6)11)17-5-10(13,14)15/h3-4H,2,5H2,1H3
InChIKeyPJCGXEJJYKPPQD-UHFFFAOYSA-N
XLogP3.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methanol
CID 28561734
1,4-bis(2,2-difluoro-3,3-dimethylbutoxy)-2,3-difluorobenzene
CID 153282501
2-fluoro-1-propan-2-yl-3-(2,2,2-trifluoroethoxy)benzene
CID 174349481
1-(2,2-difluorobutoxy)-2,3-difluoro-4-prop-2-enoxybenzene
CID 153282338
6-ethoxy-2,3-difluorobenzonitrile
CID 119017576
(4-ethoxy-2,3-difluorophenoxy)-oxoborane
CID 139945985
(4-ethoxy-2,3-difluorophenyl)-trimethylsilane
CID 15751975
(3,6-diethoxy-2-fluorophenyl)methanol
CID 164895475
5-ethoxy-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 23035342
1-[(2,3-difluoro-4-propoxyphenoxy)-difluoromethyl]-4-ethoxy-2,3-difluorobenzene
CID 20576213
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1-ethoxy-2-fluoro-4-iodo-3-methylbenzene
CID 164891728

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene (CID 158664029) is 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene is CCOc1ccc(OCC(F)(F)F)c(F)c1F.
What is the InChIKey of 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is PJCGXEJJYKPPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O2/c1-2-16-6-3-4-7(9(12)8(6)11)17-5-10(13,14)15/h3-4H,2,5H2,1H3.
What are the key properties of 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene?
1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 256.17 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2,3-difluoro-4-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 158664029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).