2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol

C11H11ClF3NO2 — CID 117452081

IUPAC2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(C2CNCCO2)cc1Cl
InChIInChI=1S/C11H11ClF3NO2/c12-8-3-6(10-5-16-1-2-18-10)7(4-9(8)17)11(13,14)15/h3-4,10,16-17H,1-2,5H2
InChIKeyHQHLIOQZIDJBLO-UHFFFAOYSA-N
MW281.66 g/mol
LogP2.73
Rot. Bonds1

About 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol

2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol (PubChem CID 117452081) has the molecular formula C11H11ClF3NO2 and a molecular weight of 281.66 g/mol. Its IUPAC name is 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol
PubChem CID117452081
Molecular FormulaC11H11ClF3NO2
Molecular Weight281.66 g/mol
Exact Mass281.04
IUPAC Name2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(C2CNCCO2)cc1Cl
InChIInChI=1S/C11H11ClF3NO2/c12-8-3-6(10-5-16-1-2-18-10)7(4-9(8)17)11(13,14)15/h3-4,10,16-17H,1-2,5H2
InChIKeyHQHLIOQZIDJBLO-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.66
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol (CID 117452081) is 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)c(C2CNCCO2)cc1Cl.
What is the InChIKey of 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol?
The InChIKey is HQHLIOQZIDJBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO2/c12-8-3-6(10-5-16-1-2-18-10)7(4-9(8)17)11(13,14)15/h3-4,10,16-17H,1-2,5H2.
What are the key properties of 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol?
2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol has a molecular weight of 281.66 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-morpholin-2-yl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 117452081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).