4-amino-3,3-difluorobutanoic acid

C4H7F2NO2 — CID 50989742

IUPAC4-amino-3,3-difluorobutanoic acid
SMILESNCC(F)(F)CC(=O)O
InChIInChI=1S/C4H7F2NO2/c5-4(6,2-7)1-3(8)9/h1-2,7H2,(H,8,9)
InChIKeyWXGKXOWURHJBDJ-UHFFFAOYSA-N
MW139.10 g/mol
LogP0.06
Rot. Bonds3

About 4-amino-3,3-difluorobutanoic acid

4-amino-3,3-difluorobutanoic acid (PubChem CID 50989742) has the molecular formula C4H7F2NO2 and a molecular weight of 139.10 g/mol. Its IUPAC name is 4-amino-3,3-difluorobutanoic acid.

Molecular Properties

Compound Name4-amino-3,3-difluorobutanoic acid
PubChem CID50989742
Molecular FormulaC4H7F2NO2
Molecular Weight139.10 g/mol
Exact Mass139.04
IUPAC Name4-amino-3,3-difluorobutanoic acid
SMILESNCC(F)(F)CC(=O)O
InChIInChI=1S/C4H7F2NO2/c5-4(6,2-7)1-3(8)9/h1-2,7H2,(H,8,9)
InChIKeyWXGKXOWURHJBDJ-UHFFFAOYSA-N
XLogP0.06
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.10
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(aminomethyl)-4,4,4-trifluorobutanoic acid
CID 96739926
4-Amino-3,3-difluorobutanoic acid hydrochloride
CID 71757454
(R)-4-Amino-3-fluorobutanoic acid
CID 101453783
4-Amino-2-fluorobutanoic acid
CID 2735915
4-Amino-3-fluorobutanoic acid
CID 12510837
4-Amino-3-(difluoromethyl)butanoic acid hydrochloride
CID 110209506
(S)-4-Amino-3-fluorobutanoic acid
CID 23727888
4-Amino-2,3-difluorobutanoic acid
CID 83854582
(2R,3R)-4-amino-2,3-difluorobutanoic acid
CID 101557230
(2S,3S)-4-amino-2,3-difluorobutanoic acid
CID 101557231
(3-Carboxy-2,2-difluoropropyl)azanium;chloride
CID 139094528
4-Amino-2,2-difluorobutanoic acid
CID 2735905

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-difluorobutanoic acid?
The IUPAC name of 4-amino-3,3-difluorobutanoic acid (CID 50989742) is 4-amino-3,3-difluorobutanoic acid.
What is the SMILES notation for 4-amino-3,3-difluorobutanoic acid?
The canonical SMILES for 4-amino-3,3-difluorobutanoic acid is NCC(F)(F)CC(=O)O.
What is the InChIKey of 4-amino-3,3-difluorobutanoic acid?
The InChIKey is WXGKXOWURHJBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2/c5-4(6,2-7)1-3(8)9/h1-2,7H2,(H,8,9).
What are the key properties of 4-amino-3,3-difluorobutanoic acid?
4-amino-3,3-difluorobutanoic acid has a molecular weight of 139.10 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-difluorobutanoic acid is sourced from PubChem (CID 50989742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).