2-(2,3,4,5-tetrafluorophenyl)ethanol

C8H6F4O — CID 55267980

IUPAC2-(2,3,4,5-tetrafluorophenyl)ethanol
SMILESOCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F4O/c9-5-3-4(1-2-13)6(10)8(12)7(5)11/h3,13H,1-2H2
InChIKeyYMIWADOBILQDJP-UHFFFAOYSA-N
MW194.13 g/mol
LogP1.78
Rot. Bonds2

About 2-(2,3,4,5-tetrafluorophenyl)ethanol

2-(2,3,4,5-tetrafluorophenyl)ethanol (PubChem CID 55267980) has the molecular formula C8H6F4O and a molecular weight of 194.13 g/mol. Its IUPAC name is 2-(2,3,4,5-tetrafluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2,3,4,5-tetrafluorophenyl)ethanol
PubChem CID55267980
Molecular FormulaC8H6F4O
Molecular Weight194.13 g/mol
Exact Mass194.04
IUPAC Name2-(2,3,4,5-tetrafluorophenyl)ethanol
SMILESOCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C8H6F4O/c9-5-3-4(1-2-13)6(10)8(12)7(5)11/h3,13H,1-2H2
InChIKeyYMIWADOBILQDJP-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
2-(2,3,4,5-tetrafluorophenyl)acetic acid
CID 18625682
trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90174029
2-(2,3,5,6-tetrafluorophenyl)ethanol
CID 55267363
2-(4,5-difluoro-1H-indol-7-yl)ethanol
CID 55266249
2-[4-(3,4-dihydropyrazol-2-yl)-2,3,5-trifluorophenyl]ethanol
CID 142782271
(2-bromo-3,4,5-trifluorophenyl)methanol
CID 89016097
dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
CID 90175405
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
1,2,3,4,5,6-hexafluoro-8-propylnaphthalene
CID 173028209
CID 172801487
CID 172801487

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5-tetrafluorophenyl)ethanol?
The IUPAC name of 2-(2,3,4,5-tetrafluorophenyl)ethanol (CID 55267980) is 2-(2,3,4,5-tetrafluorophenyl)ethanol.
What is the SMILES notation for 2-(2,3,4,5-tetrafluorophenyl)ethanol?
The canonical SMILES for 2-(2,3,4,5-tetrafluorophenyl)ethanol is OCCc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5-tetrafluorophenyl)ethanol?
The InChIKey is YMIWADOBILQDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4O/c9-5-3-4(1-2-13)6(10)8(12)7(5)11/h3,13H,1-2H2.
What are the key properties of 2-(2,3,4,5-tetrafluorophenyl)ethanol?
2-(2,3,4,5-tetrafluorophenyl)ethanol has a molecular weight of 194.13 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5-tetrafluorophenyl)ethanol is sourced from PubChem (CID 55267980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).