4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid

C9H14F3NO3 — CID 63068105

IUPAC4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid
SMILESCC1COCCN1C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6-5-16-3-2-13(6)7(4-8(14)15)9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyAQSKTCZZMCSPFI-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.11
Rot. Bonds3

About 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid

4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid (PubChem CID 63068105) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid
PubChem CID63068105
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid
SMILESCC1COCCN1C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C9H14F3NO3/c1-6-5-16-3-2-13(6)7(4-8(14)15)9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15)
InChIKeyAQSKTCZZMCSPFI-UHFFFAOYSA-N
XLogP1.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid?
The IUPAC name of 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid (CID 63068105) is 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid.
What is the SMILES notation for 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid?
The canonical SMILES for 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid is CC1COCCN1C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid?
The InChIKey is AQSKTCZZMCSPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c1-6-5-16-3-2-13(6)7(4-8(14)15)9(10,11)12/h6-7H,2-5H2,1H3,(H,14,15).
What are the key properties of 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid?
4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid has a molecular weight of 241.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(3-methylmorpholin-4-yl)butanoic acid is sourced from PubChem (CID 63068105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).