4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid

C11H18F3NO3 — CID 115514690

IUPAC4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C11H18F3NO3/c1-2-15(5-3-4-11(12,13)14)9-7-18-6-8(9)10(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyUQFRDIFUZSXZMS-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.75
Rot. Bonds6

About 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid

4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid (PubChem CID 115514690) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid
PubChem CID115514690
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC Name4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid
SMILESCCN(CCCC(F)(F)F)C1COCC1C(=O)O
InChIInChI=1S/C11H18F3NO3/c1-2-15(5-3-4-11(12,13)14)9-7-18-6-8(9)10(16)17/h8-9H,2-7H2,1H3,(H,16,17)
InChIKeyUQFRDIFUZSXZMS-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid (CID 115514690) is 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid is CCN(CCCC(F)(F)F)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid?
The InChIKey is UQFRDIFUZSXZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-2-15(5-3-4-11(12,13)14)9-7-18-6-8(9)10(16)17/h8-9H,2-7H2,1H3,(H,16,17).
What are the key properties of 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 115514690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).