2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol

C14H10Cl2F2O — CID 62607593

IUPAC2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10Cl2F2O/c15-10-3-1-8(5-11(10)16)6-14(19)9-2-4-12(17)13(18)7-9/h1-5,7,14,19H,6H2
InChIKeyKMOGTBHVKYUITK-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.55
Rot. Bonds3

About 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol

2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol (PubChem CID 62607593) has the molecular formula C14H10Cl2F2O and a molecular weight of 303.14 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
PubChem CID62607593
Molecular FormulaC14H10Cl2F2O
Molecular Weight303.14 g/mol
Exact Mass302.01
IUPAC Name2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10Cl2F2O/c15-10-3-1-8(5-11(10)16)6-14(19)9-2-4-12(17)13(18)7-9/h1-5,7,14,19H,6H2
InChIKeyKMOGTBHVKYUITK-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
2-(4-chlorophenyl)-1-(3,4-dichlorophenyl)ethanol
CID 61080644
2-(3-chlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 60797621
2-(3,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 63410604
2-(3,4-dichlorophenyl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 63428543
2-(3,4-dichlorophenyl)-1-(3,4-diethylphenyl)ethanol
CID 115482625
2-[(3-chloro-4-fluorophenyl)methylamino]-1-(3,4-difluorophenyl)ethanol
CID 62538794
1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene
CID 107993476
1-(2-chloro-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 105397725
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol (CID 62607593) is 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol?
The InChIKey is KMOGTBHVKYUITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O/c15-10-3-1-8(5-11(10)16)6-14(19)9-2-4-12(17)13(18)7-9/h1-5,7,14,19H,6H2.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol?
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol has a molecular weight of 303.14 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 62607593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).