4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine

C12H13F4NO — CID 178059830

IUPAC4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFc1cc(CN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO/c13-11-6-9(5-10(7-11)12(14,15)16)8-17-1-3-18-4-2-17/h5-7H,1-4,8H2
InChIKeyGDGRXWPODXICQP-UHFFFAOYSA-N
MW263.23 g/mol
LogP2.68
Rot. Bonds2

About 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine

4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 178059830) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID178059830
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFc1cc(CN2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F4NO/c13-11-6-9(5-10(7-11)12(14,15)16)8-17-1-3-18-4-2-17/h5-7H,1-4,8H2
InChIKeyGDGRXWPODXICQP-UHFFFAOYSA-N
XLogP2.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 118088070
1,3-dihydroindol-2-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178060005
4-[(3-bromo-5-fluorophenyl)methyl]morpholine
CID 79673314
[4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholin-2-yl]methanamine
CID 114393433
3,4-dihydro-2H-2,6-naphthyridin-1-one;4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine
CID 178059829
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxylic acid
CID 115351310
4-[(3,5-difluoro-4-methylphenyl)methyl]morpholine
CID 178059917
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433
[1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780785
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 103575425

Frequently Asked Questions

What is the IUPAC name of 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine (CID 178059830) is 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine is Fc1cc(CN2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is GDGRXWPODXICQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-11-6-9(5-10(7-11)12(14,15)16)8-17-1-3-18-4-2-17/h5-7H,1-4,8H2.
What are the key properties of 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine?
4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 263.23 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 178059830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).