4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine

C13H16F3NO — CID 70672464

IUPAC4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
SMILESCCc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-2-10-3-4-12(11(9-10)13(14,15)16)17-5-7-18-8-6-17/h3-4,9H,2,5-8H2,1H3
InChIKeyKOJSUUMRHOYPBL-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.10
Rot. Bonds2

About 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine

4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine (PubChem CID 70672464) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
PubChem CID70672464
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
SMILESCCc1ccc(N2CCOCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-2-10-3-4-12(11(9-10)13(14,15)16)17-5-7-18-8-6-17/h3-4,9H,2,5-8H2,1H3
InChIKeyKOJSUUMRHOYPBL-UHFFFAOYSA-N
XLogP3.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-ethyl-2-(trifluoromethyl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 70672221
4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
4-[[4-ethyl-2-(trifluoromethyl)phenyl]methyl]morpholine
CID 157042080
13-(4-ethyl-2-methoxyphenyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 88931619
[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]methanamine
CID 79016220
4-morpholin-4-yl-3-(trifluoromethyl)benzohydrazide
CID 146425073
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-4-ethyl-4-methylpiperidine
CID 107083242
1-[4-(bromomethyl)-2-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 107078953
4-(4-ethylphenyl)morpholine
CID 20576442
5-[(4-ethylphenyl)methyl]-2-morpholin-4-ylaniline
CID 39407103
N'-hydroxy-4-morpholin-4-yl-3-(trifluoromethyl)benzenecarboximidamide
CID 59556629
4-ethyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7594494

Frequently Asked Questions

What is the IUPAC name of 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine (CID 70672464) is 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine is CCc1ccc(N2CCOCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine?
The InChIKey is KOJSUUMRHOYPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-2-10-3-4-12(11(9-10)13(14,15)16)17-5-7-18-8-6-17/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine?
4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine has a molecular weight of 259.27 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 70672464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).