2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol

C14H10F4O — CID 103303315

IUPAC2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H10F4O/c15-9-3-1-2-8(4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7,14,19H,5H2
InChIKeyRNLOAZRZSQYFDD-UHFFFAOYSA-N
MW270.22 g/mol
LogP3.52
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol

2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol (PubChem CID 103303315) has the molecular formula C14H10F4O and a molecular weight of 270.22 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
PubChem CID103303315
Molecular FormulaC14H10F4O
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Name2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cc(F)c(F)cc1F
InChIInChI=1S/C14H10F4O/c15-9-3-1-2-8(4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7,14,19H,5H2
InChIKeyRNLOAZRZSQYFDD-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
CID 107477080
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292
1-(2,5-difluorophenyl)-2-phenylethanol
CID 61101479
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522
2-(3-fluorophenyl)-1-quinolin-8-ylethanol
CID 63969349
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
1-(2,4-difluoro-5-methylphenyl)-2-phenylethanol
CID 79731266
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanol
CID 61088668
[1-(2,4-difluoro-5-methylphenyl)-2-(3-fluorophenyl)ethyl]hydrazine
CID 105286436
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
1-(3-fluorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105079027

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol?
The IUPAC name of 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol (CID 103303315) is 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol?
The canonical SMILES for 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol is OC(Cc1cccc(F)c1)c1cc(F)c(F)cc1F.
What is the InChIKey of 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol?
The InChIKey is RNLOAZRZSQYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c15-9-3-1-2-8(4-9)5-14(19)10-6-12(17)13(18)7-11(10)16/h1-4,6-7,14,19H,5H2.
What are the key properties of 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol?
2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol has a molecular weight of 270.22 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol is sourced from PubChem (CID 103303315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).