4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid

C17H24F3NO3 — CID 154885866

IUPAC4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CCCCCN2CCOCC2)cc1
InChIInChI=1S/C15H23NO.C2HF3O2/c1-3-7-15(8-4-1)9-5-2-6-10-16-11-13-17-14-12-16;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-14H2;(H,6,7)
InChIKeyGWTVDHWKXGFYHE-UHFFFAOYSA-N
MW347.38 g/mol
LogP3.36
Rot. Bonds6

About 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid

4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid (PubChem CID 154885866) has the molecular formula C17H24F3NO3 and a molecular weight of 347.38 g/mol. Its IUPAC name is 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid
PubChem CID154885866
Molecular FormulaC17H24F3NO3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Name4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CCCCCN2CCOCC2)cc1
InChIInChI=1S/C15H23NO.C2HF3O2/c1-3-7-15(8-4-1)9-5-2-6-10-16-11-13-17-14-12-16;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-14H2;(H,6,7)
InChIKeyGWTVDHWKXGFYHE-UHFFFAOYSA-N
XLogP3.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid (CID 154885866) is 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(CCCCCN2CCOCC2)cc1.
What is the InChIKey of 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid?
The InChIKey is GWTVDHWKXGFYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO.C2HF3O2/c1-3-7-15(8-4-1)9-5-2-6-10-16-11-13-17-14-12-16;3-2(4,5)1(6)7/h1,3-4,7-8H,2,5-6,9-14H2;(H,6,7).
What are the key properties of 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid?
4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid has a molecular weight of 347.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenylpentyl)morpholine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154885866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).