2-(2-fluoroethylamino)-2-methylpentanoic acid

C8H16FNO2 — CID 80694933

IUPAC2-(2-fluoroethylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NCCF)C(=O)O
InChIInChI=1S/C8H16FNO2/c1-3-4-8(2,7(11)12)10-6-5-9/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeyWGYIPESVNAMOKN-UHFFFAOYSA-N
MW177.22 g/mol
LogP1.19
Rot. Bonds6

About 2-(2-fluoroethylamino)-2-methylpentanoic acid

2-(2-fluoroethylamino)-2-methylpentanoic acid (PubChem CID 80694933) has the molecular formula C8H16FNO2 and a molecular weight of 177.22 g/mol. Its IUPAC name is 2-(2-fluoroethylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2-fluoroethylamino)-2-methylpentanoic acid
PubChem CID80694933
Molecular FormulaC8H16FNO2
Molecular Weight177.22 g/mol
Exact Mass177.12
IUPAC Name2-(2-fluoroethylamino)-2-methylpentanoic acid
SMILESCCCC(C)(NCCF)C(=O)O
InChIInChI=1S/C8H16FNO2/c1-3-4-8(2,7(11)12)10-6-5-9/h10H,3-6H2,1-2H3,(H,11,12)
InChIKeyWGYIPESVNAMOKN-UHFFFAOYSA-N
XLogP1.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethylamino)-2-methylpentanoic acid?
The IUPAC name of 2-(2-fluoroethylamino)-2-methylpentanoic acid (CID 80694933) is 2-(2-fluoroethylamino)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2-fluoroethylamino)-2-methylpentanoic acid?
The canonical SMILES for 2-(2-fluoroethylamino)-2-methylpentanoic acid is CCCC(C)(NCCF)C(=O)O.
What is the InChIKey of 2-(2-fluoroethylamino)-2-methylpentanoic acid?
The InChIKey is WGYIPESVNAMOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2/c1-3-4-8(2,7(11)12)10-6-5-9/h10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-fluoroethylamino)-2-methylpentanoic acid?
2-(2-fluoroethylamino)-2-methylpentanoic acid has a molecular weight of 177.22 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethylamino)-2-methylpentanoic acid is sourced from PubChem (CID 80694933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).