1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol

C9H8BrCl2FO — CID 164892359

IUPAC1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol
SMILESCc1ccc(Br)c(C(O)C(Cl)Cl)c1F
InChIInChI=1S/C9H8BrCl2FO/c1-4-2-3-5(10)6(7(4)13)8(14)9(11)12/h2-3,8-9,14H,1H3
InChIKeyYKHGGZIJRNQFEX-UHFFFAOYSA-N
MW301.97 g/mol
LogP3.73
Rot. Bonds2

About 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol

1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol (PubChem CID 164892359) has the molecular formula C9H8BrCl2FO and a molecular weight of 301.97 g/mol. Its IUPAC name is 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol.

Molecular Properties

Compound Name1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol
PubChem CID164892359
Molecular FormulaC9H8BrCl2FO
Molecular Weight301.97 g/mol
Exact Mass299.91
IUPAC Name1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol
SMILESCc1ccc(Br)c(C(O)C(Cl)Cl)c1F
InChIInChI=1S/C9H8BrCl2FO/c1-4-2-3-5(10)6(7(4)13)8(14)9(11)12/h2-3,8-9,14H,1H3
InChIKeyYKHGGZIJRNQFEX-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.97
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2,2-dichloro-1-(2-fluoro-6-methoxy-3-methylphenyl)ethanol
CID 171367447
1-(2-bromo-6-methylsulfanylphenyl)-2,2-dichloroethanol
CID 164892735
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
1-(4-bromo-3-fluorophenyl)-2,2-dichloroethanol
CID 164892190
1-bromo-4-chloro-2-fluoro-3-methylbenzene
CID 13340108
1-(2,6-difluoro-3-methylphenyl)-2,2-difluoroethanol
CID 112575615
4-amino-4-(6-bromo-2-fluoro-3-methylphenyl)butanoic acid
CID 117468254
2-(3-bromo-2-fluoro-6-methylphenyl)propan-1-amine
CID 84803107
3-(3-bromo-2-fluoro-6-methylphenyl)-4-methylpentan-1-amine
CID 84814431
(3-bromo-2,6-difluorophenyl)-(3-chloro-2-methylphenyl)methanol
CID 107103554
(3-bromo-2-fluorophenyl)-(2,6-dimethylphenyl)methanol
CID 106644550

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol?
The IUPAC name of 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol (CID 164892359) is 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol.
What is the SMILES notation for 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol?
The canonical SMILES for 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol is Cc1ccc(Br)c(C(O)C(Cl)Cl)c1F.
What is the InChIKey of 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol?
The InChIKey is YKHGGZIJRNQFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrCl2FO/c1-4-2-3-5(10)6(7(4)13)8(14)9(11)12/h2-3,8-9,14H,1H3.
What are the key properties of 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol?
1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol has a molecular weight of 301.97 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-fluoro-3-methylphenyl)-2,2-dichloroethanol is sourced from PubChem (CID 164892359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).