4-(4-fluorophenyl)-2-methylidenebutan-1-imine

C11H12FN — CID 46937129

IUPAC4-(4-fluorophenyl)-2-methylidenebutan-1-imine
SMILES[H]/N=C/C(=C)CCc1ccc(F)cc1
InChIInChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+
InChIKeyCFVUPEQWSFCCFT-MDWZMJQESA-N
MW177.22 g/mol
LogP2.96
Rot. Bonds4

About 4-(4-fluorophenyl)-2-methylidenebutan-1-imine

4-(4-fluorophenyl)-2-methylidenebutan-1-imine (PubChem CID 46937129) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-methylidenebutan-1-imine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-methylidenebutan-1-imine
PubChem CID46937129
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name4-(4-fluorophenyl)-2-methylidenebutan-1-imine
SMILES[H]/N=C/C(=C)CCc1ccc(F)cc1
InChIInChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+
InChIKeyCFVUPEQWSFCCFT-MDWZMJQESA-N
XLogP2.96
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 52.96
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 4-(4-fluorophenyl)-2-methylidenebutan-1-imine?
The IUPAC name of 4-(4-fluorophenyl)-2-methylidenebutan-1-imine (CID 46937129) is 4-(4-fluorophenyl)-2-methylidenebutan-1-imine.
What is the SMILES notation for 4-(4-fluorophenyl)-2-methylidenebutan-1-imine?
The canonical SMILES for 4-(4-fluorophenyl)-2-methylidenebutan-1-imine is [H]/N=C/C(=C)CCc1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-methylidenebutan-1-imine?
The InChIKey is CFVUPEQWSFCCFT-MDWZMJQESA-N. The full InChI is InChI=1S/C11H12FN/c1-9(8-13)2-3-10-4-6-11(12)7-5-10/h4-8,13H,1-3H2/b13-8+.
What are the key properties of 4-(4-fluorophenyl)-2-methylidenebutan-1-imine?
4-(4-fluorophenyl)-2-methylidenebutan-1-imine has a molecular weight of 177.22 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-methylidenebutan-1-imine is sourced from PubChem (CID 46937129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).