2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol

C11H11Cl2F3O2 — CID 83959034

IUPAC2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C11H11Cl2F3O2/c1-3-18-9-7(4-6(12)5-8(9)13)10(2,17)11(14,15)16/h4-5,17H,3H2,1-2H3
InChIKeyADHCVEBYICPKKC-UHFFFAOYSA-N
MW303.11 g/mol
LogP4.16
Rot. Bonds3

About 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol

2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83959034) has the molecular formula C11H11Cl2F3O2 and a molecular weight of 303.11 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID83959034
Molecular FormulaC11H11Cl2F3O2
Molecular Weight303.11 g/mol
Exact Mass302.01
IUPAC Name2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCOc1c(Cl)cc(Cl)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C11H11Cl2F3O2/c1-3-18-9-7(4-6(12)5-8(9)13)10(2,17)11(14,15)16/h4-5,17H,3H2,1-2H3
InChIKeyADHCVEBYICPKKC-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol (CID 83959034) is 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol is CCOc1c(Cl)cc(Cl)cc1C(C)(O)C(F)(F)F.
What is the InChIKey of 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is ADHCVEBYICPKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2F3O2/c1-3-18-9-7(4-6(12)5-8(9)13)10(2,17)11(14,15)16/h4-5,17H,3H2,1-2H3.
What are the key properties of 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol?
2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 303.11 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83959034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).