2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid

C9H14F3NO4 — CID 66433686

IUPAC2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCOC(F)(F)F)CCO1
InChIInChI=1S/C9H14F3NO4/c10-9(11,12)17-4-2-13-1-3-16-7(6-13)5-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyZTIBNIHQZYSCBR-UHFFFAOYSA-N
MW257.21 g/mol
LogP0.70
Rot. Bonds5

About 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid

2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid (PubChem CID 66433686) has the molecular formula C9H14F3NO4 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid
PubChem CID66433686
Molecular FormulaC9H14F3NO4
Molecular Weight257.21 g/mol
Exact Mass257.09
IUPAC Name2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(CCOC(F)(F)F)CCO1
InChIInChI=1S/C9H14F3NO4/c10-9(11,12)17-4-2-13-1-3-16-7(6-13)5-8(14)15/h7H,1-6H2,(H,14,15)
InChIKeyZTIBNIHQZYSCBR-UHFFFAOYSA-N
XLogP0.70
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Hemiacetylcarnitinium
CID 128706
2,6-Bis(carboxymethyl)-4,4-dimethylmorpholinium
CID 3081011
2-{4-[(Tert-butoxy)carbonyl]-5-(trifluoromethyl)morpholin-2-yl}acetic acid
CID 165948165
2,2-Difluoro-4-(morpholin-4-yl)butanoic acid hydrochloride
CID 167725358
a-Morpholinomethylhexafluoroisobutyric acid
CID 129805206
(3R)-3-(2,2,2-trifluoroacetyl)oxy-4-(trimethylazaniumyl)butanoate
CID 87776528
[(2R)-3-carboxy-2-(2,2,2-trifluoroacetyl)oxypropyl]-trimethylazanium
CID 87776529
3-(2,2,2-Trifluoroacetyl)oxy-4-(trimethylazaniumyl)butanoate
CID 87776530
Propyl 3-hydroxy-4-morpholin-4-ylbutanoate
CID 135080891
[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium;2,2,2-trifluoroacetic acid
CID 11522589
[(2R)-3-carboxy-2-propanoyloxypropyl]-trimethylazanium;2,2,2-trifluoroacetic acid
CID 11695653
3-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-4-yl]oxypropanoic acid
CID 63903983

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid (CID 66433686) is 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid is O=C(O)CC1CN(CCOC(F)(F)F)CCO1.
What is the InChIKey of 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid?
The InChIKey is ZTIBNIHQZYSCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO4/c10-9(11,12)17-4-2-13-1-3-16-7(6-13)5-8(14)15/h7H,1-6H2,(H,14,15).
What are the key properties of 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid?
2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid has a molecular weight of 257.21 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethoxy)ethyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).