1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol

C14H9BrCl2F2O — CID 106941955

IUPAC1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H9BrCl2F2O/c15-8-2-4-11(18)13(14(8)19)12(20)6-7-1-3-9(16)10(17)5-7/h1-5,12,20H,6H2
InChIKeyPOMQSRAMLPPZMW-UHFFFAOYSA-N
MW382.03 g/mol
LogP5.31
Rot. Bonds3

About 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol

1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol (PubChem CID 106941955) has the molecular formula C14H9BrCl2F2O and a molecular weight of 382.03 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol
PubChem CID106941955
Molecular FormulaC14H9BrCl2F2O
Molecular Weight382.03 g/mol
Exact Mass379.92
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol
SMILESOC(Cc1ccc(Cl)c(Cl)c1)c1c(F)ccc(Br)c1F
InChIInChI=1S/C14H9BrCl2F2O/c15-8-2-4-11(18)13(14(8)19)12(20)6-7-1-3-9(16)10(17)5-7/h1-5,12,20H,6H2
InChIKeyPOMQSRAMLPPZMW-UHFFFAOYSA-N
XLogP5.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.03
LogP ≤ 55.31
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-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
CID 82816292
1-(3-bromo-2,6-difluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 106266420
1-(3-bromo-2,6-difluorophenyl)-2-(3-bromophenyl)ethanol
CID 106941936
2-(3,4-dichlorophenyl)-1-(3,4-difluorophenyl)ethanol
CID 62607593
2-(4-chloro-3-fluorophenyl)-1-(2,6-difluorophenyl)ethanol
CID 107883519
1-bromo-4-[1-bromo-2-(3,4-dichlorophenyl)ethyl]-2-fluorobenzene
CID 55224478
1-(3-bromo-4-chlorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82919458
1-(4-bromo-3-chlorophenyl)-2-(3-bromo-4-fluorophenyl)ethanol
CID 115779651
1-(2-bromo-4-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-ol
CID 63410897
2-(3,4-dichlorophenyl)-1-(4-fluoro-3-methylphenyl)ethanol
CID 55134453
1-(3-bromothiophen-2-yl)-2-(3,4-dichlorophenyl)ethanol
CID 55239745
1-(3-bromo-2,6-difluorophenyl)-2-thiophen-2-ylethanol
CID 106941958

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol (CID 106941955) is 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol is OC(Cc1ccc(Cl)c(Cl)c1)c1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol?
The InChIKey is POMQSRAMLPPZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrCl2F2O/c15-8-2-4-11(18)13(14(8)19)12(20)6-7-1-3-9(16)10(17)5-7/h1-5,12,20H,6H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol?
1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol has a molecular weight of 382.03 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-2-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 106941955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).