4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine

C15H17F6NO — CID 170869353

IUPAC4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1ccc(CCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F6NO/c16-14(17,18)12-4-3-11(13(10-12)15(19,20)21)2-1-5-22-6-8-23-9-7-22/h3-4,10H,1-2,5-9H2
InChIKeyZQKLHUUANCIBQA-UHFFFAOYSA-N
MW341.30 g/mol
LogP3.99
Rot. Bonds4

About 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine

4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine (PubChem CID 170869353) has the molecular formula C15H17F6NO and a molecular weight of 341.30 g/mol. Its IUPAC name is 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
PubChem CID170869353
Molecular FormulaC15H17F6NO
Molecular Weight341.30 g/mol
Exact Mass341.12
IUPAC Name4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine
SMILESFC(F)(F)c1ccc(CCCN2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H17F6NO/c16-14(17,18)12-4-3-11(13(10-12)15(19,20)21)2-1-5-22-6-8-23-9-7-22/h3-4,10H,1-2,5-9H2
InChIKeyZQKLHUUANCIBQA-UHFFFAOYSA-N
XLogP3.99
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[3-bromo-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869742
4-[3-[4-bromo-3-(trifluoromethyl)phenyl]propyl]morpholine
CID 170870044
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738
1-[3-[4-chloro-2-(trifluoromethyl)phenyl]propyl]-4-methylpiperazine
CID 170862929
4-[3-[3-chloro-5-(trifluoromethyl)phenyl]propyl]morpholine
CID 170869712
4-[3-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]propyl]morpholine
CID 170871315
4-[3-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]propyl]morpholine
CID 170870105
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
2-[1-(3-morpholin-4-ylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46309591
4-[3-(4-bromo-2,3-difluorophenyl)propyl]morpholine
CID 170870098
4-[3-[3,5-bis(3-morpholin-4-ylpropyl)phenyl]propyl]morpholine
CID 170870147
4-[3-(4-bromo-2-methylphenyl)propyl]morpholine
CID 170870052

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine (CID 170869353) is 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine is FC(F)(F)c1ccc(CCCN2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine?
The InChIKey is ZQKLHUUANCIBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F6NO/c16-14(17,18)12-4-3-11(13(10-12)15(19,20)21)2-1-5-22-6-8-23-9-7-22/h3-4,10H,1-2,5-9H2.
What are the key properties of 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine?
4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine has a molecular weight of 341.30 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2,4-bis(trifluoromethyl)phenyl]propyl]morpholine is sourced from PubChem (CID 170869353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).