(2Z)-2-(fluoromethylidene)butan-1-imine

C5H8FN — CID 134189384

IUPAC(2Z)-2-(fluoromethylidene)butan-1-imine
SMILES[H]/N=C/C(=C\F)CC
InChIInChI=1S/C5H8FN/c1-2-5(3-6)4-7/h3-4,7H,2H2,1H3/b5-3-,7-4+
InChIKeyGGDLOIDNEMONIE-XKSOLRDRSA-N
MW101.12 g/mol
LogP1.90
Rot. Bonds2

About (2Z)-2-(fluoromethylidene)butan-1-imine

(2Z)-2-(fluoromethylidene)butan-1-imine (PubChem CID 134189384) has the molecular formula C5H8FN and a molecular weight of 101.12 g/mol. Its IUPAC name is (2Z)-2-(fluoromethylidene)butan-1-imine.

Molecular Properties

Compound Name(2Z)-2-(fluoromethylidene)butan-1-imine
PubChem CID134189384
Molecular FormulaC5H8FN
Molecular Weight101.12 g/mol
Exact Mass101.06
IUPAC Name(2Z)-2-(fluoromethylidene)butan-1-imine
SMILES[H]/N=C/C(=C\F)CC
InChIInChI=1S/C5H8FN/c1-2-5(3-6)4-7/h3-4,7H,2H2,1H3/b5-3-,7-4+
InChIKeyGGDLOIDNEMONIE-XKSOLRDRSA-N
XLogP1.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.12
LogP ≤ 51.90
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 (2Z)-2-(fluoromethylidene)butan-1-imine?
The IUPAC name of (2Z)-2-(fluoromethylidene)butan-1-imine (CID 134189384) is (2Z)-2-(fluoromethylidene)butan-1-imine.
What is the SMILES notation for (2Z)-2-(fluoromethylidene)butan-1-imine?
The canonical SMILES for (2Z)-2-(fluoromethylidene)butan-1-imine is [H]/N=C/C(=C\F)CC.
What is the InChIKey of (2Z)-2-(fluoromethylidene)butan-1-imine?
The InChIKey is GGDLOIDNEMONIE-XKSOLRDRSA-N. The full InChI is InChI=1S/C5H8FN/c1-2-5(3-6)4-7/h3-4,7H,2H2,1H3/b5-3-,7-4+.
What are the key properties of (2Z)-2-(fluoromethylidene)butan-1-imine?
(2Z)-2-(fluoromethylidene)butan-1-imine has a molecular weight of 101.12 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(fluoromethylidene)butan-1-imine is sourced from PubChem (CID 134189384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).