1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol

C14H9Br2Cl2FO — CID 106761513

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol
SMILESCC(O)(c1ccc(Br)cc1Cl)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H9Br2Cl2FO/c1-14(20,8-3-2-7(15)6-11(8)17)9-4-5-10(16)12(18)13(9)19/h2-6,20H,1H3
InChIKeyZKSGTZLXNXKFIB-UHFFFAOYSA-N
MW442.94 g/mol
LogP5.91
Rot. Bonds2

About 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol

1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol (PubChem CID 106761513) has the molecular formula C14H9Br2Cl2FO and a molecular weight of 442.94 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol
PubChem CID106761513
Molecular FormulaC14H9Br2Cl2FO
Molecular Weight442.94 g/mol
Exact Mass439.84
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol
SMILESCC(O)(c1ccc(Br)cc1Cl)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C14H9Br2Cl2FO/c1-14(20,8-3-2-7(15)6-11(8)17)9-4-5-10(16)12(18)13(9)19/h2-6,20H,1H3
InChIKeyZKSGTZLXNXKFIB-UHFFFAOYSA-N
XLogP5.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.94
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82808045
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 106761227
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
1-(4-bromo-2-chlorophenyl)-1-(2-ethoxyphenyl)ethanol
CID 82780069
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 82779386
2-(4-bromo-2-chlorophenyl)-1-(5-bromo-2-fluorophenyl)propan-2-ol
CID 82779362
(4-bromo-3-chloro-2-fluorophenyl)-dicyclopropylmethanol
CID 112743426
1-(4-bromo-2-chlorophenyl)-1-cyclopropylethanol
CID 82779522
2-(4-bromo-3-chloro-2-fluorophenyl)-1-(propylamino)propan-2-ol
CID 106763756
1-(4-bromo-2-chlorophenyl)-1-(5-bromo-3-methyltriazol-4-yl)ethanol
CID 106461375
2-(4-bromo-2-chlorophenyl)-2-methylpropanoic acid
CID 83745261
3-(4-bromo-3-chloro-2-fluorophenyl)-N-tert-butyl-3-methylbutan-1-amine
CID 106763830

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol (CID 106761513) is 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol is CC(O)(c1ccc(Br)cc1Cl)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol?
The InChIKey is ZKSGTZLXNXKFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Br2Cl2FO/c1-14(20,8-3-2-7(15)6-11(8)17)9-4-5-10(16)12(18)13(9)19/h2-6,20H,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol?
1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol has a molecular weight of 442.94 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-1-(4-bromo-2-chlorophenyl)ethanol is sourced from PubChem (CID 106761513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).