1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol

C14H9Br2ClF2O — CID 106274383

IUPAC1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1cccc(Br)c1Cl
InChIInChI=1S/C14H9Br2ClF2O/c15-9-3-1-2-7(13(9)17)12(20)6-8-11(18)5-4-10(16)14(8)19/h1-5,12,20H,6H2
InChIKeySUGPYVHNIOVDSW-UHFFFAOYSA-N
MW426.48 g/mol
LogP5.42
Rot. Bonds3

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

1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol (PubChem CID 106274383) has the molecular formula C14H9Br2ClF2O and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
PubChem CID106274383
Molecular FormulaC14H9Br2ClF2O
Molecular Weight426.48 g/mol
Exact Mass423.87
IUPAC Name1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
SMILESOC(Cc1c(F)ccc(Br)c1F)c1cccc(Br)c1Cl
InChIInChI=1S/C14H9Br2ClF2O/c15-9-3-1-2-7(13(9)17)12(20)6-8-11(18)5-4-10(16)14(8)19/h1-5,12,20H,6H2
InChIKeySUGPYVHNIOVDSW-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 55.42
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-bromo-2,6-difluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 106274368
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-2-methylphenyl)ethanol
CID 106274418
1-(3-bromo-2,6-difluorophenyl)-3-(3-chlorophenyl)propan-2-ol
CID 106266378
1-(3-bromo-2-fluorophenyl)-2-(2-chloro-3-fluorophenyl)ethanol
CID 107954110
1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol
CID 166094959
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
1-(3-bromo-2,6-difluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 106274453
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
2-(3-bromo-2,6-difluorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethanol
CID 106266541
2-(3-bromo-2,6-difluorophenyl)-1-(3,4-dibromophenyl)ethanol
CID 106265752
1-(3-bromo-2,6-difluorophenyl)-3-phenylpropan-2-ol
CID 106265334
1-(3-bromo-2-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105377688

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol?
The IUPAC name of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol (CID 106274383) is 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol?
The canonical SMILES for 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol is OC(Cc1c(F)ccc(Br)c1F)c1cccc(Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol?
The InChIKey is SUGPYVHNIOVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2ClF2O/c15-9-3-1-2-7(13(9)17)12(20)6-8-11(18)5-4-10(16)14(8)19/h1-5,12,20H,6H2.
What are the key properties of 1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol?
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol has a molecular weight of 426.48 g/mol, XLogP of 5.42, 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-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol is sourced from PubChem (CID 106274383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).