methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate

C11H18F3NO3 — CID 113331103

IUPACmethyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCC(F)(F)F)CCO1
InChIInChI=1S/C11H18F3NO3/c1-17-10(16)7-9-8-15(5-6-18-9)4-2-3-11(12,13)14/h9H,2-8H2,1H3
InChIKeyUQVDOLTVCRWDDI-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.59
Rot. Bonds5

About methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate

methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate (PubChem CID 113331103) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
PubChem CID113331103
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Namemethyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCC(F)(F)F)CCO1
InChIInChI=1S/C11H18F3NO3/c1-17-10(16)7-9-8-15(5-6-18-9)4-2-3-11(12,13)14/h9H,2-8H2,1H3
InChIKeyUQVDOLTVCRWDDI-UHFFFAOYSA-N
XLogP1.59
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate (CID 113331103) is methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CCCC(F)(F)F)CCO1.
What is the InChIKey of methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate?
The InChIKey is UQVDOLTVCRWDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-17-10(16)7-9-8-15(5-6-18-9)4-2-3-11(12,13)14/h9H,2-8H2,1H3.
What are the key properties of methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate?
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate has a molecular weight of 269.26 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate is sourced from PubChem (CID 113331103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).