chloro 2-fluorobutanimidate

C4H7ClFNO — CID 87322821

IUPACchloro 2-fluorobutanimidate
SMILES[H]/N=C(\OCl)C(F)CC
InChIInChI=1S/C4H7ClFNO/c1-2-3(6)4(7)8-5/h3,7H,2H2,1H3/b7-4-
InChIKeyDIXNHRYTHVOCMF-DAXSKMNVSA-N
MW139.56 g/mol
LogP1.88
Rot. Bonds2

About chloro 2-fluorobutanimidate

chloro 2-fluorobutanimidate (PubChem CID 87322821) has the molecular formula C4H7ClFNO and a molecular weight of 139.56 g/mol. Its IUPAC name is chloro 2-fluorobutanimidate.

Molecular Properties

Compound Namechloro 2-fluorobutanimidate
PubChem CID87322821
Molecular FormulaC4H7ClFNO
Molecular Weight139.56 g/mol
Exact Mass139.02
IUPAC Namechloro 2-fluorobutanimidate
SMILES[H]/N=C(\OCl)C(F)CC
InChIInChI=1S/C4H7ClFNO/c1-2-3(6)4(7)8-5/h3,7H,2H2,1H3/b7-4-
InChIKeyDIXNHRYTHVOCMF-DAXSKMNVSA-N
XLogP1.88
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.56
LogP ≤ 51.88
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'}

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Frequently Asked Questions

What is the IUPAC name of chloro 2-fluorobutanimidate?
The IUPAC name of chloro 2-fluorobutanimidate (CID 87322821) is chloro 2-fluorobutanimidate.
What is the SMILES notation for chloro 2-fluorobutanimidate?
The canonical SMILES for chloro 2-fluorobutanimidate is [H]/N=C(\OCl)C(F)CC.
What is the InChIKey of chloro 2-fluorobutanimidate?
The InChIKey is DIXNHRYTHVOCMF-DAXSKMNVSA-N. The full InChI is InChI=1S/C4H7ClFNO/c1-2-3(6)4(7)8-5/h3,7H,2H2,1H3/b7-4-.
What are the key properties of chloro 2-fluorobutanimidate?
chloro 2-fluorobutanimidate has a molecular weight of 139.56 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-fluorobutanimidate is sourced from PubChem (CID 87322821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).