1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol

C14H10Br2ClFO — CID 166094959

IUPAC1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol
SMILESOC(Cc1c(Br)cccc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C14H10Br2ClFO/c15-11-2-1-3-12(16)10(11)7-14(19)9-5-4-8(17)6-13(9)18/h1-6,14,19H,7H2
InChIKeyPREMHYGCOVOHAK-UHFFFAOYSA-N
MW408.49 g/mol
LogP5.28
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol

1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol (PubChem CID 166094959) has the molecular formula C14H10Br2ClFO and a molecular weight of 408.49 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol
PubChem CID166094959
Molecular FormulaC14H10Br2ClFO
Molecular Weight408.49 g/mol
Exact Mass405.88
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol
SMILESOC(Cc1c(Br)cccc1Br)c1ccc(Cl)cc1F
InChIInChI=1S/C14H10Br2ClFO/c15-11-2-1-3-12(16)10(11)7-14(19)9-5-4-8(17)6-13(9)18/h1-6,14,19H,7H2
InChIKeyPREMHYGCOVOHAK-UHFFFAOYSA-N
XLogP5.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(4-chloro-2-fluorophenyl)ethanol
CID 63083123
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)ethanol
CID 115839758
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-2,6-difluorophenyl)ethanol
CID 106274383
1-(4-chloro-2-fluorophenyl)-2-(4-methylphenyl)ethanol
CID 63016785
1-(3-bromo-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 107954021
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 63017670
1-(4-chloro-2-fluorophenyl)-3-methylbutan-1-ol
CID 63082094
2-(2,6-dichlorophenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 62964279
1-(2-bromo-6-fluorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103048373
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
1-(4-chloro-2-fluorophenyl)-3-methylbut-3-en-1-ol
CID 79177590
1-(2-bromo-4-fluorophenyl)-2-(4-chlorophenyl)ethanol
CID 63016944

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol (CID 166094959) is 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol is OC(Cc1c(Br)cccc1Br)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol?
The InChIKey is PREMHYGCOVOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br2ClFO/c15-11-2-1-3-12(16)10(11)7-14(19)9-5-4-8(17)6-13(9)18/h1-6,14,19H,7H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol?
1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol has a molecular weight of 408.49 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenyl)ethanol is sourced from PubChem (CID 166094959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).