2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol

C10H9Cl2F3O — CID 83950177

IUPAC2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9Cl2F3O/c1-2-9(16,10(13,14)15)6-3-7(11)5-8(12)4-6/h3-5,16H,2H2,1H3
InChIKeyZNBCZLCVSRTKRT-UHFFFAOYSA-N
MW273.08 g/mol
LogP4.15
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol

2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol (PubChem CID 83950177) has the molecular formula C10H9Cl2F3O and a molecular weight of 273.08 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
PubChem CID83950177
Molecular FormulaC10H9Cl2F3O
Molecular Weight273.08 g/mol
Exact Mass272.00
IUPAC Name2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
SMILESCCC(O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H9Cl2F3O/c1-2-9(16,10(13,14)15)6-3-7(11)5-8(12)4-6/h3-5,16H,2H2,1H3
InChIKeyZNBCZLCVSRTKRT-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.08
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol?
The IUPAC name of 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol (CID 83950177) is 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol?
The canonical SMILES for 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol is CCC(O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol?
The InChIKey is ZNBCZLCVSRTKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F3O/c1-2-9(16,10(13,14)15)6-3-7(11)5-8(12)4-6/h3-5,16H,2H2,1H3.
What are the key properties of 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol?
2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol has a molecular weight of 273.08 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol is sourced from PubChem (CID 83950177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).