1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane

C16H26ClF3N2O — CID 172614909

IUPAC1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane
SMILESC1COCCN1.CCC.CNC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H9ClF3N.C4H9NO.C3H8/c1-14-8(9(11,12)13)6-2-4-7(10)5-3-6;1-3-6-4-2-5-1;1-3-2/h2-5,8,14H,1H3;5H,1-4H2;3H2,1-2H3
InChIKeyFUQPWDAJRSEUMX-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane

1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane (PubChem CID 172614909) has the molecular formula C16H26ClF3N2O and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane
PubChem CID172614909
Molecular FormulaC16H26ClF3N2O
Molecular Weight354.84 g/mol
Exact Mass354.17
IUPAC Name1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane
SMILESC1COCCN1.CCC.CNC(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H9ClF3N.C4H9NO.C3H8/c1-14-8(9(11,12)13)6-2-4-7(10)5-3-6;1-3-6-4-2-5-1;1-3-2/h2-5,8,14H,1H3;5H,1-4H2;3H2,1-2H3
InChIKeyFUQPWDAJRSEUMX-UHFFFAOYSA-N
XLogP4.19
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane?
The IUPAC name of 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane (CID 172614909) is 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane.
What is the SMILES notation for 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane?
The canonical SMILES for 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane is C1COCCN1.CCC.CNC(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane?
The InChIKey is FUQPWDAJRSEUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N.C4H9NO.C3H8/c1-14-8(9(11,12)13)6-2-4-7(10)5-3-6;1-3-6-4-2-5-1;1-3-2/h2-5,8,14H,1H3;5H,1-4H2;3H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane?
1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane has a molecular weight of 354.84 g/mol, XLogP of 4.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2,2,2-trifluoro-N-methylethanamine;morpholine;propane is sourced from PubChem (CID 172614909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).