3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid

C9H18FNO2 — CID 80696079

IUPAC3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NCCF)C(C)(C)C(=O)O
InChIInChI=1S/C9H18FNO2/c1-8(2,7(12)13)9(3,4)11-6-5-10/h11H,5-6H2,1-4H3,(H,12,13)
InChIKeyUPIFGIBNJDJOCO-UHFFFAOYSA-N
MW191.25 g/mol
LogP1.43
Rot. Bonds5

About 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid

3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid (PubChem CID 80696079) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid
PubChem CID80696079
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NCCF)C(C)(C)C(=O)O
InChIInChI=1S/C9H18FNO2/c1-8(2,7(12)13)9(3,4)11-6-5-10/h11H,5-6H2,1-4H3,(H,12,13)
InChIKeyUPIFGIBNJDJOCO-UHFFFAOYSA-N
XLogP1.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid (CID 80696079) is 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid is CC(C)(NCCF)C(C)(C)C(=O)O.
What is the InChIKey of 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid?
The InChIKey is UPIFGIBNJDJOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-8(2,7(12)13)9(3,4)11-6-5-10/h11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid?
3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid has a molecular weight of 191.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethylamino)-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 80696079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).