[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol

C9H8ClF3O2 — CID 43141932

IUPAC[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C9H8ClF3O2/c10-7-1-2-8(6(3-7)4-14)15-5-9(11,12)13/h1-3,14H,4-5H2
InChIKeyAWVCECNCGXOCPM-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.77
Rot. Bonds3

About [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol

[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol (PubChem CID 43141932) has the molecular formula C9H8ClF3O2 and a molecular weight of 240.61 g/mol. Its IUPAC name is [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
PubChem CID43141932
Molecular FormulaC9H8ClF3O2
Molecular Weight240.61 g/mol
Exact Mass240.02
IUPAC Name[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESOCc1cc(Cl)ccc1OCC(F)(F)F
InChIInChI=1S/C9H8ClF3O2/c10-7-1-2-8(6(3-7)4-14)15-5-9(11,12)13/h1-3,14H,4-5H2
InChIKeyAWVCECNCGXOCPM-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol (CID 43141932) is [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol is OCc1cc(Cl)ccc1OCC(F)(F)F.
What is the InChIKey of [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The InChIKey is AWVCECNCGXOCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3O2/c10-7-1-2-8(6(3-7)4-14)15-5-9(11,12)13/h1-3,14H,4-5H2.
What are the key properties of [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol has a molecular weight of 240.61 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]methanol is sourced from PubChem (CID 43141932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).