2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol

C14H10ClF3O — CID 112653011

IUPAC2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H10ClF3O/c15-14-8(3-1-6-11(14)18)7-12(19)13-9(16)4-2-5-10(13)17/h1-6,12,19H,7H2
InChIKeyMOOKMRZDVFKNIY-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.03
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol

2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol (PubChem CID 112653011) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
PubChem CID112653011
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
SMILESOC(Cc1cccc(F)c1Cl)c1c(F)cccc1F
InChIInChI=1S/C14H10ClF3O/c15-14-8(3-1-6-11(14)18)7-12(19)13-9(16)4-2-5-10(13)17/h1-6,12,19H,7H2
InChIKeyMOOKMRZDVFKNIY-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

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 82802615
2-(2-chloro-3-fluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 115983386
2-(2-chloro-3-fluorophenyl)-1-(4-chlorophenyl)ethanol
CID 112652994
2-(2-chloro-3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)ethanol
CID 112653523
1-(2-aminophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 112653460
1-amino-3-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112653165
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
1-(2-bromo-6-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102857500
2-chloro-1-[(2-chloro-3-fluorophenyl)methyl]-3-fluorobenzene
CID 173100406
1-(2-chloro-3-fluorophenyl)-3-(2-chlorophenyl)propan-2-ol
CID 112653439
2-(2-chloro-3-fluorophenyl)-1-(5-fluoro-2-pyridinyl)ethanol
CID 112653500
2-(2-chloro-3-fluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105124053

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol (CID 112653011) is 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol is OC(Cc1cccc(F)c1Cl)c1c(F)cccc1F.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol?
The InChIKey is MOOKMRZDVFKNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c15-14-8(3-1-6-11(14)18)7-12(19)13-9(16)4-2-5-10(13)17/h1-6,12,19H,7H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol?
2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)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 2-(2-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol is sourced from PubChem (CID 112653011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).