2-fluorobutanimidate;hydrochloride

C4H8ClFNO- — CID 18322416

IUPAC2-fluorobutanimidate;hydrochloride
SMILESCl.[H]/N=C(\[O-])C(F)CC
InChIInChI=1S/C4H8FNO.ClH/c1-2-3(5)4(6)7;/h3H,2H2,1H3,(H2,6,7);1H/p-1
InChIKeyNBGYHGHIBUUURR-UHFFFAOYSA-M
MW140.56 g/mol
LogP0.49
Rot. Bonds2

About 2-fluorobutanimidate;hydrochloride

2-fluorobutanimidate;hydrochloride (PubChem CID 18322416) has the molecular formula C4H8ClFNO- and a molecular weight of 140.56 g/mol. Its IUPAC name is 2-fluorobutanimidate;hydrochloride.

Molecular Properties

Compound Name2-fluorobutanimidate;hydrochloride
PubChem CID18322416
Molecular FormulaC4H8ClFNO-
Molecular Weight140.56 g/mol
Exact Mass140.03
IUPAC Name2-fluorobutanimidate;hydrochloride
SMILESCl.[H]/N=C(\[O-])C(F)CC
InChIInChI=1S/C4H8FNO.ClH/c1-2-3(5)4(6)7;/h3H,2H2,1H3,(H2,6,7);1H/p-1
InChIKeyNBGYHGHIBUUURR-UHFFFAOYSA-M
XLogP0.49
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.56
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-fluorobutanimidate;hydrochloride 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-fluorobutanimidate;hydrochloride?
The IUPAC name of 2-fluorobutanimidate;hydrochloride (CID 18322416) is 2-fluorobutanimidate;hydrochloride.
What is the SMILES notation for 2-fluorobutanimidate;hydrochloride?
The canonical SMILES for 2-fluorobutanimidate;hydrochloride is Cl.[H]/N=C(\[O-])C(F)CC.
What is the InChIKey of 2-fluorobutanimidate;hydrochloride?
The InChIKey is NBGYHGHIBUUURR-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8FNO.ClH/c1-2-3(5)4(6)7;/h3H,2H2,1H3,(H2,6,7);1H/p-1.
What are the key properties of 2-fluorobutanimidate;hydrochloride?
2-fluorobutanimidate;hydrochloride has a molecular weight of 140.56 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorobutanimidate;hydrochloride is sourced from PubChem (CID 18322416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).