2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol

C11H13Cl2FO2 — CID 164893818

IUPAC2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(F)c1C(O)C(Cl)Cl
InChIInChI=1S/C11H13Cl2FO2/c1-6(2)16-8-5-3-4-7(14)9(8)10(15)11(12)13/h3-6,10-11,15H,1-2H3
InChIKeyGGJSQKGREREIDB-UHFFFAOYSA-N
MW267.13 g/mol
LogP3.45
Rot. Bonds4

About 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol

2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol (PubChem CID 164893818) has the molecular formula C11H13Cl2FO2 and a molecular weight of 267.13 g/mol. Its IUPAC name is 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol.

Molecular Properties

Compound Name2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol
PubChem CID164893818
Molecular FormulaC11H13Cl2FO2
Molecular Weight267.13 g/mol
Exact Mass266.03
IUPAC Name2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol
SMILESCC(C)Oc1cccc(F)c1C(O)C(Cl)Cl
InChIInChI=1S/C11H13Cl2FO2/c1-6(2)16-8-5-3-4-7(14)9(8)10(15)11(12)13/h3-6,10-11,15H,1-2H3
InChIKeyGGJSQKGREREIDB-UHFFFAOYSA-N
XLogP3.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.13
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol?
The IUPAC name of 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol (CID 164893818) is 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol.
What is the SMILES notation for 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol?
The canonical SMILES for 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol is CC(C)Oc1cccc(F)c1C(O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol?
The InChIKey is GGJSQKGREREIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2FO2/c1-6(2)16-8-5-3-4-7(14)9(8)10(15)11(12)13/h3-6,10-11,15H,1-2H3.
What are the key properties of 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol?
2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol has a molecular weight of 267.13 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-(2-fluoro-6-propan-2-yloxyphenyl)ethanol is sourced from PubChem (CID 164893818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).