1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol

C9H8ClF3O — CID 84689375

IUPAC1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3O/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5,14H,1H3
InChIKeyWCIIUHYIOMCOLY-UHFFFAOYSA-N
MW224.61 g/mol
LogP3.41
Rot. Bonds1

About 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol

1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol (PubChem CID 84689375) has the molecular formula C9H8ClF3O and a molecular weight of 224.61 g/mol. Its IUPAC name is 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
PubChem CID84689375
Molecular FormulaC9H8ClF3O
Molecular Weight224.61 g/mol
Exact Mass224.02
IUPAC Name1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol
SMILESCC(O)c1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C9H8ClF3O/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5,14H,1H3
InChIKeyWCIIUHYIOMCOLY-UHFFFAOYSA-N
XLogP3.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol (CID 84689375) is 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol is CC(O)c1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is WCIIUHYIOMCOLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-5,14H,1H3.
What are the key properties of 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol?
1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 224.61 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 84689375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).