4-ethoxy-2,3,5-trifluorophenol

C8H7F3O2 — CID 174599301

IUPAC4-ethoxy-2,3,5-trifluorophenol
SMILESCCOc1c(F)cc(O)c(F)c1F
InChIInChI=1S/C8H7F3O2/c1-2-13-8-4(9)3-5(12)6(10)7(8)11/h3,12H,2H2,1H3
InChIKeyDPZKDJYSBFZFSE-UHFFFAOYSA-N
MW192.14 g/mol
LogP2.21
Rot. Bonds2

About 4-ethoxy-2,3,5-trifluorophenol

4-ethoxy-2,3,5-trifluorophenol (PubChem CID 174599301) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 4-ethoxy-2,3,5-trifluorophenol.

Molecular Properties

Compound Name4-ethoxy-2,3,5-trifluorophenol
PubChem CID174599301
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name4-ethoxy-2,3,5-trifluorophenol
SMILESCCOc1c(F)cc(O)c(F)c1F
InChIInChI=1S/C8H7F3O2/c1-2-13-8-4(9)3-5(12)6(10)7(8)11/h3,12H,2H2,1H3
InChIKeyDPZKDJYSBFZFSE-UHFFFAOYSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,4-diethoxy-1,3-difluoro-5-iodobenzene
CID 50998226
2-ethoxy-4,5-difluorophenol
CID 131306358
(3,4-diethoxy-5-fluorophenyl)boronic acid
CID 164894924
5-ethoxy-2-fluoro-3-methylphenol
CID 164891522
4-bromo-2-ethoxy-5-fluorophenol
CID 118800387
5-ethoxy-2,4-difluorophenol
CID 125116194
9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole
CID 174779203
(4-ethoxy-3-fluoro-5-methoxyphenyl)boronic acid
CID 164891882
(2-ethoxy-5-fluoro-3-hydroxyphenyl)boronic acid
CID 164896102
2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
CID 12954352
2,3,5-trichloro-4-ethoxyphenol
CID 13114662
1-(4-ethoxy-3,5-difluoro-2-methylphenyl)ethane-1,2-diamine
CID 66518126

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,3,5-trifluorophenol?
The IUPAC name of 4-ethoxy-2,3,5-trifluorophenol (CID 174599301) is 4-ethoxy-2,3,5-trifluorophenol.
What is the SMILES notation for 4-ethoxy-2,3,5-trifluorophenol?
The canonical SMILES for 4-ethoxy-2,3,5-trifluorophenol is CCOc1c(F)cc(O)c(F)c1F.
What is the InChIKey of 4-ethoxy-2,3,5-trifluorophenol?
The InChIKey is DPZKDJYSBFZFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c1-2-13-8-4(9)3-5(12)6(10)7(8)11/h3,12H,2H2,1H3.
What are the key properties of 4-ethoxy-2,3,5-trifluorophenol?
4-ethoxy-2,3,5-trifluorophenol has a molecular weight of 192.14 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,3,5-trifluorophenol is sourced from PubChem (CID 174599301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).