4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride

C14H19ClF3NO — CID 21124624

IUPAC4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride
SMILESCC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C14H18F3NO.ClH/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17;/h3-5,8,10,13H,6-7,9H2,1-2H3;1H
InChIKeyXYYSVSLSSDHEGA-UHFFFAOYSA-N
MW309.76 g/mol
LogP3.91
Rot. Bonds2

About 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride

4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride (PubChem CID 21124624) has the molecular formula C14H19ClF3NO and a molecular weight of 309.76 g/mol. Its IUPAC name is 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride
PubChem CID21124624
Molecular FormulaC14H19ClF3NO
Molecular Weight309.76 g/mol
Exact Mass309.11
IUPAC Name4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride
SMILESCC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1.Cl
InChIInChI=1S/C14H18F3NO.ClH/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17;/h3-5,8,10,13H,6-7,9H2,1-2H3;1H
InChIKeyXYYSVSLSSDHEGA-UHFFFAOYSA-N
XLogP3.91
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride?
The IUPAC name of 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride (CID 21124624) is 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride.
What is the SMILES notation for 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride?
The canonical SMILES for 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride is CC(C)N1CCOC(c2cccc(C(F)(F)F)c2)C1.Cl.
What is the InChIKey of 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride?
The InChIKey is XYYSVSLSSDHEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO.ClH/c1-10(2)18-6-7-19-13(9-18)11-4-3-5-12(8-11)14(15,16)17;/h3-5,8,10,13H,6-7,9H2,1-2H3;1H.
What are the key properties of 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride?
4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride has a molecular weight of 309.76 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[3-(trifluoromethyl)phenyl]morpholine;hydrochloride is sourced from PubChem (CID 21124624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).