2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate

C14H16F3NO4 — CID 166930213

IUPAC2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
SMILESO=C(OCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO4/c15-14(16,17)22-12-3-1-11(2-4-12)13(19)21-10-7-18-5-8-20-9-6-18/h1-4H,5-10H2
InChIKeyNVNAZILZFIPYKD-UHFFFAOYSA-N
MW319.28 g/mol
LogP2.07
Rot. Bonds5

About 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate

2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate (PubChem CID 166930213) has the molecular formula C14H16F3NO4 and a molecular weight of 319.28 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
PubChem CID166930213
Molecular FormulaC14H16F3NO4
Molecular Weight319.28 g/mol
Exact Mass319.10
IUPAC Name2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
SMILESO=C(OCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO4/c15-14(16,17)22-12-3-1-11(2-4-12)13(19)21-10-7-18-5-8-20-9-6-18/h1-4H,5-10H2
InChIKeyNVNAZILZFIPYKD-UHFFFAOYSA-N
XLogP2.07
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
2-morpholin-4-ylethyl 4-ethynylbenzoate;hydrochloride
CID 71386007
1-[4-(3-morpholin-4-ylpropoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 25015279
2-morpholin-4-ylethyl 4-(1-methyltetrazol-5-yl)benzoate
CID 58740461
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
butyl 4-(trifluoromethoxy)benzoate
CID 113220950
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
CID 61321668
2-morpholin-4-ylethyl pyridine-3-carboxylate;hydrochloride
CID 50944397

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate?
The IUPAC name of 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate (CID 166930213) is 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate is O=C(OCCN1CCOCC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate?
The InChIKey is NVNAZILZFIPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO4/c15-14(16,17)22-12-3-1-11(2-4-12)13(19)21-10-7-18-5-8-20-9-6-18/h1-4H,5-10H2.
What are the key properties of 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate?
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate has a molecular weight of 319.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 166930213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).