4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine

C14H18F3NO — CID 134949179

IUPAC4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
SMILESCC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H18F3NO/c1-2-13(18-7-9-19-10-8-18)11-3-5-12(6-4-11)14(15,16)17/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyDMILUDLSIQLZJO-CYBMUJFWSA-N
MW273.30 g/mol
LogP3.49
Rot. Bonds3

About 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine

4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine (PubChem CID 134949179) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine.

Molecular Properties

Compound Name4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
PubChem CID134949179
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine
SMILESCC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1
InChIInChI=1S/C14H18F3NO/c1-2-13(18-7-9-19-10-8-18)11-3-5-12(6-4-11)14(15,16)17/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1
InChIKeyDMILUDLSIQLZJO-CYBMUJFWSA-N
XLogP3.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]propyl]piperazine;hydrochloride
CID 171167100
2-methyl-3-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119872548
1,2-dimethyl-3-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 91641994
N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
(2R)-2-methylsulfanyl-N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511635
(2R)-2-methylsulfanyl-N-[(2S)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 52511637
N-[(2R)-2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]cyclopropanecarboxamide
CID 94799529
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
1-ethyl-2-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-prop-2-enylguanidine
CID 110981737
2-methyl-1-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109472431
2-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]ethanol
CID 54775900
4-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]butanamide;dihydrochloride
CID 119872533

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine?
The IUPAC name of 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine (CID 134949179) is 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine.
What is the SMILES notation for 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine?
The canonical SMILES for 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine is CC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1.
What is the InChIKey of 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine?
The InChIKey is DMILUDLSIQLZJO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-2-13(18-7-9-19-10-8-18)11-3-5-12(6-4-11)14(15,16)17/h3-6,13H,2,7-10H2,1H3/t13-/m1/s1.
What are the key properties of 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine?
4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine has a molecular weight of 273.30 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[4-(trifluoromethyl)phenyl]propyl]morpholine is sourced from PubChem (CID 134949179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).