1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol

C15H11Cl2F3O — CID 82802213

IUPAC1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1F
InChIInChI=1S/C15H11Cl2F3O/c1-7-3-4-11(18)13(14(7)20)15(2,21)8-5-12(19)10(17)6-9(8)16/h3-6,21H,1-2H3
InChIKeyYWPQKZWDHPHZMK-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.97
Rot. Bonds2

About 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol

1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol (PubChem CID 82802213) has the molecular formula C15H11Cl2F3O and a molecular weight of 335.15 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
PubChem CID82802213
Molecular FormulaC15H11Cl2F3O
Molecular Weight335.15 g/mol
Exact Mass334.01
IUPAC Name1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol
SMILESCc1ccc(F)c(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1F
InChIInChI=1S/C15H11Cl2F3O/c1-7-3-4-11(18)13(14(7)20)15(2,21)8-5-12(19)10(17)6-9(8)16/h3-6,21H,1-2H3
InChIKeyYWPQKZWDHPHZMK-UHFFFAOYSA-N
XLogP4.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.97
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The IUPAC name of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol (CID 82802213) is 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The canonical SMILES for 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol is Cc1ccc(F)c(C(C)(O)c2cc(F)c(Cl)cc2Cl)c1F.
What is the InChIKey of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
The InChIKey is YWPQKZWDHPHZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3O/c1-7-3-4-11(18)13(14(7)20)15(2,21)8-5-12(19)10(17)6-9(8)16/h3-6,21H,1-2H3.
What are the key properties of 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol?
1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol has a molecular weight of 335.15 g/mol, XLogP of 4.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanol is sourced from PubChem (CID 82802213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).