2-amino-3-fluorobut-3-en-1-ol

C4H8FNO — CID 169181611

IUPAC2-amino-3-fluorobut-3-en-1-ol
SMILESC=C(F)C(N)CO
InChIInChI=1S/C4H8FNO/c1-3(5)4(6)2-7/h4,7H,1-2,6H2
InChIKeySMTMCGGDAKXMPW-UHFFFAOYSA-N
MW105.11 g/mol
LogP-0.21
Rot. Bonds2

About 2-amino-3-fluorobut-3-en-1-ol

2-amino-3-fluorobut-3-en-1-ol (PubChem CID 169181611) has the molecular formula C4H8FNO and a molecular weight of 105.11 g/mol. Its IUPAC name is 2-amino-3-fluorobut-3-en-1-ol.

Molecular Properties

Compound Name2-amino-3-fluorobut-3-en-1-ol
PubChem CID169181611
Molecular FormulaC4H8FNO
Molecular Weight105.11 g/mol
Exact Mass105.06
IUPAC Name2-amino-3-fluorobut-3-en-1-ol
SMILESC=C(F)C(N)CO
InChIInChI=1S/C4H8FNO/c1-3(5)4(6)2-7/h4,7H,1-2,6H2
InChIKeySMTMCGGDAKXMPW-UHFFFAOYSA-N
XLogP-0.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-fluorobut-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluorobut-3-en-1-ol?
The IUPAC name of 2-amino-3-fluorobut-3-en-1-ol (CID 169181611) is 2-amino-3-fluorobut-3-en-1-ol.
What is the SMILES notation for 2-amino-3-fluorobut-3-en-1-ol?
The canonical SMILES for 2-amino-3-fluorobut-3-en-1-ol is C=C(F)C(N)CO.
What is the InChIKey of 2-amino-3-fluorobut-3-en-1-ol?
The InChIKey is SMTMCGGDAKXMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO/c1-3(5)4(6)2-7/h4,7H,1-2,6H2.
What are the key properties of 2-amino-3-fluorobut-3-en-1-ol?
2-amino-3-fluorobut-3-en-1-ol has a molecular weight of 105.11 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluorobut-3-en-1-ol is sourced from PubChem (CID 169181611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).