1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol

C9H7Cl2F3O — CID 174373993

IUPAC1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1c(Cl)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H7Cl2F3O/c1-4(15)8-6(9(12,13)14)2-5(10)3-7(8)11/h2-4,15H,1H3
InChIKeyOABMHEPBFKJVQL-UHFFFAOYSA-N
MW259.05 g/mol
LogP4.07
Rot. Bonds1

About 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol

1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol (PubChem CID 174373993) has the molecular formula C9H7Cl2F3O and a molecular weight of 259.05 g/mol. Its IUPAC name is 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol
PubChem CID174373993
Molecular FormulaC9H7Cl2F3O
Molecular Weight259.05 g/mol
Exact Mass257.98
IUPAC Name1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1c(Cl)cc(Cl)cc1C(F)(F)F
InChIInChI=1S/C9H7Cl2F3O/c1-4(15)8-6(9(12,13)14)2-5(10)3-7(8)11/h2-4,15H,1H3
InChIKeyOABMHEPBFKJVQL-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 15684
CID 15684
CID 92889
CID 92889
CID 260399
CID 260399
CID 11557536
CID 11557536
CID 94351
CID 94351
CID 2757669
CID 2757669
CID 4582574
CID 4582574
CID 5324672
CID 5324672
CID 11344814
CID 11344814
CID 61100888
CID 61100888
CID 72517
CID 72517
CID 12184802
CID 12184802

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol (CID 174373993) is 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol is CC(O)c1c(Cl)cc(Cl)cc1C(F)(F)F.
What is the InChIKey of 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol?
The InChIKey is OABMHEPBFKJVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F3O/c1-4(15)8-6(9(12,13)14)2-5(10)3-7(8)11/h2-4,15H,1H3.
What are the key properties of 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol?
1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol has a molecular weight of 259.05 g/mol, XLogP of 4.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-6-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 174373993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).