(Z)-3-chloro-2-fluorobut-2-en-1-imine

C4H5ClFN — CID 130271762

IUPAC(Z)-3-chloro-2-fluorobut-2-en-1-imine
SMILES[H]/N=C/C(F)=C(\C)Cl
InChIInChI=1S/C4H5ClFN/c1-3(5)4(6)2-7/h2,7H,1H3/b4-3-,7-2+
InChIKeyLZSYGMKFARUMQJ-HTQYPNKRSA-N
MW121.54 g/mol
LogP2.08
Rot. Bonds1

About (Z)-3-chloro-2-fluorobut-2-en-1-imine

(Z)-3-chloro-2-fluorobut-2-en-1-imine (PubChem CID 130271762) has the molecular formula C4H5ClFN and a molecular weight of 121.54 g/mol. Its IUPAC name is (Z)-3-chloro-2-fluorobut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-chloro-2-fluorobut-2-en-1-imine
PubChem CID130271762
Molecular FormulaC4H5ClFN
Molecular Weight121.54 g/mol
Exact Mass121.01
IUPAC Name(Z)-3-chloro-2-fluorobut-2-en-1-imine
SMILES[H]/N=C/C(F)=C(\C)Cl
InChIInChI=1S/C4H5ClFN/c1-3(5)4(6)2-7/h2,7H,1H3/b4-3-,7-2+
InChIKeyLZSYGMKFARUMQJ-HTQYPNKRSA-N
XLogP2.08
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.54
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-fluorobut-2-en-1-imine?
The IUPAC name of (Z)-3-chloro-2-fluorobut-2-en-1-imine (CID 130271762) is (Z)-3-chloro-2-fluorobut-2-en-1-imine.
What is the SMILES notation for (Z)-3-chloro-2-fluorobut-2-en-1-imine?
The canonical SMILES for (Z)-3-chloro-2-fluorobut-2-en-1-imine is [H]/N=C/C(F)=C(\C)Cl.
What is the InChIKey of (Z)-3-chloro-2-fluorobut-2-en-1-imine?
The InChIKey is LZSYGMKFARUMQJ-HTQYPNKRSA-N. The full InChI is InChI=1S/C4H5ClFN/c1-3(5)4(6)2-7/h2,7H,1H3/b4-3-,7-2+.
What are the key properties of (Z)-3-chloro-2-fluorobut-2-en-1-imine?
(Z)-3-chloro-2-fluorobut-2-en-1-imine has a molecular weight of 121.54 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-fluorobut-2-en-1-imine is sourced from PubChem (CID 130271762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).