1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol

C14H10ClF3O — CID 107477080

IUPAC1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H10ClF3O/c15-11-7-13(18)12(17)6-10(11)14(19)5-8-2-1-3-9(16)4-8/h1-4,6-7,14,19H,5H2
InChIKeyAONJTKGWYLSHOA-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.03
Rot. Bonds3

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

1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol (PubChem CID 107477080) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
PubChem CID107477080
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C14H10ClF3O/c15-11-7-13(18)12(17)6-10(11)14(19)5-8-2-1-3-9(16)4-8/h1-4,6-7,14,19H,5H2
InChIKeyAONJTKGWYLSHOA-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.03
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

2-(3-fluorophenyl)-1-(2,4,5-trifluorophenyl)ethanol
CID 103303315
1-(2-chloro-4,5-dimethylphenyl)-2-(3-fluorophenyl)ethanol
CID 115484522
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
1-[1-bromo-2-(3-fluorophenyl)ethyl]-4-chloro-2,5-difluorobenzene
CID 82771134
1-(3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 60798270
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
CID 60900214
1,4-dichloro-2-[1-chloro-2-(3-fluorophenyl)ethyl]benzene
CID 63436776
1-(4-bromo-3-chlorophenyl)-2-(3-fluorophenyl)ethanol
CID 81307399
1-[1-bromo-2-(3-fluorophenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304292
1-(3-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 81263221
1-(2-chloro-4,5-dimethylphenyl)-2-(3,4-difluorophenyl)ethanol
CID 115484531
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol (CID 107477080) is 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol is OC(Cc1cccc(F)c1)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol?
The InChIKey is AONJTKGWYLSHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c15-11-7-13(18)12(17)6-10(11)14(19)5-8-2-1-3-9(16)4-8/h1-4,6-7,14,19H,5H2.
What are the key properties of 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol?
1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol has a molecular weight of 286.68 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,5-difluorophenyl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 107477080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).