3-fluoro-N,4-dimethylpent-3-en-2-imine

C7H12FN — CID 155041528

IUPAC3-fluoro-N,4-dimethylpent-3-en-2-imine
SMILESC/N=C(\C)C(F)=C(C)C
InChIInChI=1S/C7H12FN/c1-5(2)7(8)6(3)9-4/h1-4H3/b9-6+
InChIKeyWJFKXHYRIARITC-RMKNXTFCSA-N
MW129.18 g/mol
LogP2.34
Rot. Bonds1

About 3-fluoro-N,4-dimethylpent-3-en-2-imine

3-fluoro-N,4-dimethylpent-3-en-2-imine (PubChem CID 155041528) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 3-fluoro-N,4-dimethylpent-3-en-2-imine.

Molecular Properties

Compound Name3-fluoro-N,4-dimethylpent-3-en-2-imine
PubChem CID155041528
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name3-fluoro-N,4-dimethylpent-3-en-2-imine
SMILESC/N=C(\C)C(F)=C(C)C
InChIInChI=1S/C7H12FN/c1-5(2)7(8)6(3)9-4/h1-4H3/b9-6+
InChIKeyWJFKXHYRIARITC-RMKNXTFCSA-N
XLogP2.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.34
H-Bond Donors ≤ 50
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 3-fluoro-N,4-dimethylpent-3-en-2-imine?
The IUPAC name of 3-fluoro-N,4-dimethylpent-3-en-2-imine (CID 155041528) is 3-fluoro-N,4-dimethylpent-3-en-2-imine.
What is the SMILES notation for 3-fluoro-N,4-dimethylpent-3-en-2-imine?
The canonical SMILES for 3-fluoro-N,4-dimethylpent-3-en-2-imine is C/N=C(\C)C(F)=C(C)C.
What is the InChIKey of 3-fluoro-N,4-dimethylpent-3-en-2-imine?
The InChIKey is WJFKXHYRIARITC-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H12FN/c1-5(2)7(8)6(3)9-4/h1-4H3/b9-6+.
What are the key properties of 3-fluoro-N,4-dimethylpent-3-en-2-imine?
3-fluoro-N,4-dimethylpent-3-en-2-imine has a molecular weight of 129.18 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,4-dimethylpent-3-en-2-imine is sourced from PubChem (CID 155041528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).