1-(2,3,5-trifluorophenoxy)ethanol

C8H7F3O2 — CID 143423169

IUPAC1-(2,3,5-trifluorophenoxy)ethanol
SMILESCC(O)Oc1cc(F)cc(F)c1F
InChIInChI=1S/C8H7F3O2/c1-4(12)13-7-3-5(9)2-6(10)8(7)11/h2-4,12H,1H3
InChIKeyASSKRMHZCJJDQD-UHFFFAOYSA-N
MW192.14 g/mol
LogP1.82
Rot. Bonds2

About 1-(2,3,5-trifluorophenoxy)ethanol

1-(2,3,5-trifluorophenoxy)ethanol (PubChem CID 143423169) has the molecular formula C8H7F3O2 and a molecular weight of 192.14 g/mol. Its IUPAC name is 1-(2,3,5-trifluorophenoxy)ethanol.

Molecular Properties

Compound Name1-(2,3,5-trifluorophenoxy)ethanol
PubChem CID143423169
Molecular FormulaC8H7F3O2
Molecular Weight192.14 g/mol
Exact Mass192.04
IUPAC Name1-(2,3,5-trifluorophenoxy)ethanol
SMILESCC(O)Oc1cc(F)cc(F)c1F
InChIInChI=1S/C8H7F3O2/c1-4(12)13-7-3-5(9)2-6(10)8(7)11/h2-4,12H,1H3
InChIKeyASSKRMHZCJJDQD-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(2,3,5-trifluorophenyl)propan-1-ol
CID 130597949
1-(2-fluoro-4-methylphenoxy)ethanol
CID 134488224
[3-(difluoromethoxy)-2,5-difluorophenyl]boronic acid
CID 171030320
1,2,5-trifluoro-3-(methoxymethoxy)benzene
CID 67531702
(1S)-1-(3,4-difluoro-5-methoxyphenyl)ethanol
CID 97293354
2,3,5,6-tetrafluoro-4-(2,3,5-trifluorophenoxy)phenol
CID 166987070
[2-(difluoromethoxy)-4,6-difluorophenyl]methanol
CID 130934755
2-methyl-1-(2,4,6-trifluorophenyl)propan-1-ol
CID 61087293
2-(2,3,5-trifluorophenyl)propan-1-ol
CID 59218730
1-(1,3-difluoropropan-2-yloxy)-3,5-difluoro-2-methylbenzene
CID 169135949
1-(3,5-difluoro-2-methoxyphenyl)ethanol
CID 84661308
dichloro(oxo)phosphanium;bis(1-(2,4-dichlorophenoxy)ethanol)
CID 88780474

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,5-trifluorophenoxy)ethanol?
The IUPAC name of 1-(2,3,5-trifluorophenoxy)ethanol (CID 143423169) is 1-(2,3,5-trifluorophenoxy)ethanol.
What is the SMILES notation for 1-(2,3,5-trifluorophenoxy)ethanol?
The canonical SMILES for 1-(2,3,5-trifluorophenoxy)ethanol is CC(O)Oc1cc(F)cc(F)c1F.
What is the InChIKey of 1-(2,3,5-trifluorophenoxy)ethanol?
The InChIKey is ASSKRMHZCJJDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3O2/c1-4(12)13-7-3-5(9)2-6(10)8(7)11/h2-4,12H,1H3.
What are the key properties of 1-(2,3,5-trifluorophenoxy)ethanol?
1-(2,3,5-trifluorophenoxy)ethanol has a molecular weight of 192.14 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,5-trifluorophenoxy)ethanol is sourced from PubChem (CID 143423169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).