[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone

C13H13F4NO2 — CID 79885901

IUPAC[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1
InChIInChI=1S/C13H13F4NO2/c1-8-7-18(5-6-20-8)12(19)9-3-2-4-10(11(9)14)13(15,16)17/h2-4,8H,5-7H2,1H3
InChIKeyGPTLWNQURJTSPW-UHFFFAOYSA-N
MW291.24 g/mol
LogP2.71
Rot. Bonds1

About [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone

[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone (PubChem CID 79885901) has the molecular formula C13H13F4NO2 and a molecular weight of 291.24 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone
PubChem CID79885901
Molecular FormulaC13H13F4NO2
Molecular Weight291.24 g/mol
Exact Mass291.09
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1
InChIInChI=1S/C13H13F4NO2/c1-8-7-18(5-6-20-8)12(19)9-3-2-4-10(11(9)14)13(15,16)17/h2-4,8H,5-7H2,1H3
InChIKeyGPTLWNQURJTSPW-UHFFFAOYSA-N
XLogP2.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-bromo-3-(trifluoromethyl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647312
(2-fluoro-3-methylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 80712132
[2-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532722
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 79885733
(2-hydroxy-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 42928657
(4-bromo-2-fluoro-3-methylphenyl)-(2-methylmorpholin-4-yl)methanone
CID 171382981
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 99848583
(3,3-dimethylpyrrolidin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79885630
(2-bromo-3-methylphenyl)-[(2S)-2-methylmorpholin-4-yl]methanone
CID 172647311
(4-ethylpiperazin-1-yl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79884120
[(2S)-2-methylmorpholin-4-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 51710382
(2-bromo-3-chlorophenyl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 172647316

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone (CID 79885901) is [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cccc(C(F)(F)F)c2F)CCO1.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone?
The InChIKey is GPTLWNQURJTSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F4NO2/c1-8-7-18(5-6-20-8)12(19)9-3-2-4-10(11(9)14)13(15,16)17/h2-4,8H,5-7H2,1H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone?
[2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone has a molecular weight of 291.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenyl]-(2-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 79885901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).