4-fluoro-N,2,4-trimethylpent-1-en-3-imine

C8H14FN — CID 126481414

IUPAC4-fluoro-N,2,4-trimethylpent-1-en-3-imine
SMILESC=C(C)/C(=N\C)C(C)(C)F
InChIInChI=1S/C8H14FN/c1-6(2)7(10-5)8(3,4)9/h1H2,2-5H3/b10-7+
InChIKeyHEXCFKAFDYTKRB-JXMROGBWSA-N
MW143.20 g/mol
LogP2.38
Rot. Bonds2

About 4-fluoro-N,2,4-trimethylpent-1-en-3-imine

4-fluoro-N,2,4-trimethylpent-1-en-3-imine (PubChem CID 126481414) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 4-fluoro-N,2,4-trimethylpent-1-en-3-imine.

Molecular Properties

Compound Name4-fluoro-N,2,4-trimethylpent-1-en-3-imine
PubChem CID126481414
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name4-fluoro-N,2,4-trimethylpent-1-en-3-imine
SMILESC=C(C)/C(=N\C)C(C)(C)F
InChIInChI=1S/C8H14FN/c1-6(2)7(10-5)8(3,4)9/h1H2,2-5H3/b10-7+
InChIKeyHEXCFKAFDYTKRB-JXMROGBWSA-N
XLogP2.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 52.38
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 4-fluoro-N,2,4-trimethylpent-1-en-3-imine?
The IUPAC name of 4-fluoro-N,2,4-trimethylpent-1-en-3-imine (CID 126481414) is 4-fluoro-N,2,4-trimethylpent-1-en-3-imine.
What is the SMILES notation for 4-fluoro-N,2,4-trimethylpent-1-en-3-imine?
The canonical SMILES for 4-fluoro-N,2,4-trimethylpent-1-en-3-imine is C=C(C)/C(=N\C)C(C)(C)F.
What is the InChIKey of 4-fluoro-N,2,4-trimethylpent-1-en-3-imine?
The InChIKey is HEXCFKAFDYTKRB-JXMROGBWSA-N. The full InChI is InChI=1S/C8H14FN/c1-6(2)7(10-5)8(3,4)9/h1H2,2-5H3/b10-7+.
What are the key properties of 4-fluoro-N,2,4-trimethylpent-1-en-3-imine?
4-fluoro-N,2,4-trimethylpent-1-en-3-imine has a molecular weight of 143.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2,4-trimethylpent-1-en-3-imine is sourced from PubChem (CID 126481414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).