4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine

C14H17F4NO — CID 123284633

IUPAC4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine
SMILESCc1ccc(F)c(C(CC(F)(F)F)N2CCOCC2)c1
InChIInChI=1S/C14H17F4NO/c1-10-2-3-12(15)11(8-10)13(9-14(16,17)18)19-4-6-20-7-5-19/h2-3,8,13H,4-7,9H2,1H3
InChIKeyGSXGYDXEGGPOQB-UHFFFAOYSA-N
MW291.29 g/mol
LogP3.46
Rot. Bonds3

About 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine

4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine (PubChem CID 123284633) has the molecular formula C14H17F4NO and a molecular weight of 291.29 g/mol. Its IUPAC name is 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine.

Molecular Properties

Compound Name4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine
PubChem CID123284633
Molecular FormulaC14H17F4NO
Molecular Weight291.29 g/mol
Exact Mass291.12
IUPAC Name4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine
SMILESCc1ccc(F)c(C(CC(F)(F)F)N2CCOCC2)c1
InChIInChI=1S/C14H17F4NO/c1-10-2-3-12(15)11(8-10)13(9-14(16,17)18)19-4-6-20-7-5-19/h2-3,8,13H,4-7,9H2,1H3
InChIKeyGSXGYDXEGGPOQB-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-cyclopropyl-1-(2,5-dimethylphenyl)-3-methylbutyl]morpholine
CID 70837403
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[(1S)-1-(5-chloro-2-fluorophenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163680
3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propan-1-amine
CID 62790891
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
3-(2,5-difluorophenyl)-3-morpholin-4-ylpropan-1-amine
CID 69312368
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-5-iodophenyl)propyl]piperazine;hydrochloride
CID 171167843
ethane;4-[[4-methyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 144816585
1-[(1S)-1-(2-fluoro-5-methylphenyl)pentyl]piperazine;hydrochloride
CID 171164078
1-[(1R)-1-(2-fluoro-5-methylphenyl)-3-methylbut-3-enyl]piperazine
CID 171289562
1-[(1R)-1-(2-fluoro-5-methylphenyl)hexyl]piperazine;dihydrochloride
CID 171307745
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-4,5-dimethoxyphenyl)propyl]piperazine
CID 171167387

Frequently Asked Questions

What is the IUPAC name of 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine?
The IUPAC name of 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine (CID 123284633) is 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine.
What is the SMILES notation for 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine?
The canonical SMILES for 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine is Cc1ccc(F)c(C(CC(F)(F)F)N2CCOCC2)c1.
What is the InChIKey of 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine?
The InChIKey is GSXGYDXEGGPOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F4NO/c1-10-2-3-12(15)11(8-10)13(9-14(16,17)18)19-4-6-20-7-5-19/h2-3,8,13H,4-7,9H2,1H3.
What are the key properties of 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine?
4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine has a molecular weight of 291.29 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3,3-trifluoro-1-(2-fluoro-5-methylphenyl)propyl]morpholine is sourced from PubChem (CID 123284633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).