ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate

C14H16F3NO3 — CID 126483070

IUPACethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
SMILESCCOC(=O)c1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C14H16F3NO3/c1-2-21-13(19)11-4-3-10(14(15,16)17)9-12(11)18-5-7-20-8-6-18/h3-4,9H,2,5-8H2,1H3
InChIKeyYFKGJZWAKVEMBC-UHFFFAOYSA-N
MW303.28 g/mol
LogP2.72
Rot. Bonds3

About ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate

ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate (PubChem CID 126483070) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
PubChem CID126483070
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Nameethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate
SMILESCCOC(=O)c1ccc(C(F)(F)F)cc1N1CCOCC1
InChIInChI=1S/C14H16F3NO3/c1-2-21-13(19)11-4-3-10(14(15,16)17)9-12(11)18-5-7-20-8-6-18/h3-4,9H,2,5-8H2,1H3
InChIKeyYFKGJZWAKVEMBC-UHFFFAOYSA-N
XLogP2.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
ethyl 4-amino-2-[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 2238233
ethyl 3-chloro-4-morpholin-4-ylbenzoate
CID 154210360
ethyl 2-amino-5-morpholin-4-ylpyridine-4-carboxylate
CID 114194649
ethyl 5-amino-4-(ethylamino)-2-morpholin-4-ylbenzoate
CID 67978022
ethyl 2-morpholin-4-yl-5-(trifluoromethyl)indazole-3-carboxylate
CID 142736140
ethyl 2-(dibromomethyl)-4-(trifluoromethyl)benzoate
CID 69434080
[2-[2-morpholin-4-yl-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 27997827
ethyl 2-bromo-5-(trifluoromethyl)benzoate
CID 46311281
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
ethyl 2-ethylsulfanyl-4-(trifluoromethyl)benzoate
CID 91876377
2-(4-ethoxyphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16546340

Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate?
The IUPAC name of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate (CID 126483070) is ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate.
What is the SMILES notation for ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate?
The canonical SMILES for ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate is CCOC(=O)c1ccc(C(F)(F)F)cc1N1CCOCC1.
What is the InChIKey of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate?
The InChIKey is YFKGJZWAKVEMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-2-21-13(19)11-4-3-10(14(15,16)17)9-12(11)18-5-7-20-8-6-18/h3-4,9H,2,5-8H2,1H3.
What are the key properties of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate?
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate has a molecular weight of 303.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-morpholin-4-yl-4-(trifluoromethyl)benzoate is sourced from PubChem (CID 126483070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).