4-amino-4-fluorobutanoic acid

C4H8FNO2 — CID 20508342

IUPAC4-amino-4-fluorobutanoic acid
SMILESNC(F)CCC(=O)O
InChIInChI=1S/C4H8FNO2/c5-3(6)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)
InChIKeySQFUZDVFQHXHFR-UHFFFAOYSA-N
MW121.11 g/mol
LogP0.11
Rot. Bonds3

About 4-amino-4-fluorobutanoic acid

4-amino-4-fluorobutanoic acid (PubChem CID 20508342) has the molecular formula C4H8FNO2 and a molecular weight of 121.11 g/mol. Its IUPAC name is 4-amino-4-fluorobutanoic acid.

Molecular Properties

Compound Name4-amino-4-fluorobutanoic acid
PubChem CID20508342
Molecular FormulaC4H8FNO2
Molecular Weight121.11 g/mol
Exact Mass121.05
IUPAC Name4-amino-4-fluorobutanoic acid
SMILESNC(F)CCC(=O)O
InChIInChI=1S/C4H8FNO2/c5-3(6)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)
InChIKeySQFUZDVFQHXHFR-UHFFFAOYSA-N
XLogP0.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-amino-5,5-difluoropentanoic acid
CID 51901753
4-amino-5-fluorohexanoic acid
CID 78098113
4-amino-4-hydroxybutanoic acid;palladium
CID 87204989
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
2-amino-5-(18F)fluorooctanedioic acid
CID 89447645
butanedioic acid;fluoroform
CID 159416748
(4S)-4,5-diamino-5-oxopentanoic acid
CID 22802675
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
4-aminopentanoic acid;ethane
CID 143436801
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-fluorobutanoic acid?
The IUPAC name of 4-amino-4-fluorobutanoic acid (CID 20508342) is 4-amino-4-fluorobutanoic acid.
What is the SMILES notation for 4-amino-4-fluorobutanoic acid?
The canonical SMILES for 4-amino-4-fluorobutanoic acid is NC(F)CCC(=O)O.
What is the InChIKey of 4-amino-4-fluorobutanoic acid?
The InChIKey is SQFUZDVFQHXHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2/c5-3(6)1-2-4(7)8/h3H,1-2,6H2,(H,7,8).
What are the key properties of 4-amino-4-fluorobutanoic acid?
4-amino-4-fluorobutanoic acid has a molecular weight of 121.11 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-fluorobutanoic acid is sourced from PubChem (CID 20508342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).