2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate

C9H14F3NO3 — CID 166930136

IUPAC2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate
SMILESO=C(CC(F)(F)F)OCCN1CCOCC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7-8(14)16-6-3-13-1-4-15-5-2-13/h1-7H2
InChIKeyAJESRXRFXKCZOE-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.81
Rot. Bonds4

About 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate

2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate (PubChem CID 166930136) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate
PubChem CID166930136
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate
SMILESO=C(CC(F)(F)F)OCCN1CCOCC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7-8(14)16-6-3-13-1-4-15-5-2-13/h1-7H2
InChIKeyAJESRXRFXKCZOE-UHFFFAOYSA-N
XLogP0.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-ylethyl 2-bromoacetate
CID 118035535
2-morpholin-4-ylethyl but-3-enoate
CID 163582404
2-[16-[2-(4,4-dimethylpentanoyloxy)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]ethyl 4,4-dimethylpentanoate
CID 102070429
bis(2-morpholin-4-ylethyl) but-2-enedioate
CID 69032977
methane;2-morpholin-4-ylethyl 2,2-dimethylpropanoate
CID 159132677
2-morpholin-4-ylethyl octanoate
CID 23118480
ethane;2-morpholin-4-ylethyl 2-methylpropanoate
CID 156731056
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103
2-morpholin-4-ylethyl 2-(1-hydroxycyclohexyl)acetate
CID 3053872
2-morpholin-4-ylethyl 4-(trifluoromethoxy)benzoate
CID 166930213
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 3,3-dimethylbutanoate;2-morpholin-4-ylethyl 3,3-dimethylbutanoate
CID 157052717
2-morpholin-4-ylethyl (Z)-hept-5-enoate
CID 143867024

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate?
The IUPAC name of 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate (CID 166930136) is 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate?
The canonical SMILES for 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate is O=C(CC(F)(F)F)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate?
The InChIKey is AJESRXRFXKCZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)7-8(14)16-6-3-13-1-4-15-5-2-13/h1-7H2.
What are the key properties of 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate?
2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate has a molecular weight of 241.21 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3,3,3-trifluoropropanoate is sourced from PubChem (CID 166930136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).