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

C14H10ClF3O — CID 114852109

IUPAC2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1cc(F)ccc1F
InChIInChI=1S/C14H10ClF3O/c15-9-2-1-8(13(18)6-9)5-14(19)11-7-10(16)3-4-12(11)17/h1-4,6-7,14,19H,5H2
InChIKeyRCASOLKQAXTNLF-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.03
Rot. Bonds3

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

2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol (PubChem CID 114852109) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
PubChem CID114852109
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)cc1F)c1cc(F)ccc1F
InChIInChI=1S/C14H10ClF3O/c15-9-2-1-8(13(18)6-9)5-14(19)11-7-10(16)3-4-12(11)17/h1-4,6-7,14,19H,5H2
InChIKeyRCASOLKQAXTNLF-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-(4-chloro-2-fluorophenyl)-1-(2,5-dichlorophenyl)ethanol
CID 115839677
2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 114855662
2-(5-chloro-2-methoxyphenyl)-1-(2,5-difluorophenyl)ethanol
CID 63661823
2-(2,4-dichlorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 62607142
1-(2,5-difluorophenyl)-2-(4-fluorophenyl)ethanol
CID 61100110
2-(5-chloro-2-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 103048202
2-(4-chloro-2-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanol
CID 115839731
1-(4-bromo-2-chlorophenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 114852756
2-(2-chloro-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 102617223
1-(2-amino-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 82685676
1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
2-(2-bromo-4-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150787

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol (CID 114852109) is 2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol is OC(Cc1ccc(Cl)cc1F)c1cc(F)ccc1F.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol?
The InChIKey is RCASOLKQAXTNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c15-9-2-1-8(13(18)6-9)5-14(19)11-7-10(16)3-4-12(11)17/h1-4,6-7,14,19H,5H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol?
2-(4-chloro-2-fluorophenyl)-1-(2,5-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-(4-chloro-2-fluorophenyl)-1-(2,5-difluorophenyl)ethanol is sourced from PubChem (CID 114852109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).