N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine

C8H12FN — CID 171497204

IUPACN-ethenyl-2-fluoro-4-methylpent-1-en-3-imine
SMILESC=C/N=C(\C(=C)F)C(C)C
InChIInChI=1S/C8H12FN/c1-5-10-8(6(2)3)7(4)9/h5-6H,1,4H2,2-3H3/b10-8-
InChIKeyGTDGHZYSKFMJEQ-NTMALXAHSA-N
MW141.19 g/mol
LogP2.71
Rot. Bonds3

About N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine

N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine (PubChem CID 171497204) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-ethenyl-2-fluoro-4-methylpent-1-en-3-imine
PubChem CID171497204
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-ethenyl-2-fluoro-4-methylpent-1-en-3-imine
SMILESC=C/N=C(\C(=C)F)C(C)C
InChIInChI=1S/C8H12FN/c1-5-10-8(6(2)3)7(4)9/h5-6H,1,4H2,2-3H3/b10-8-
InChIKeyGTDGHZYSKFMJEQ-NTMALXAHSA-N
XLogP2.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(1-fluoroethenyl)-4-methylpent-1-en-3-imine
CID 142378559
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine
CID 167170105
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
N-ethenyl-2-fluoropent-1-en-3-imine
CID 172345409
N-ethenyl-2-fluoro-4,5-dimethylhex-1-en-3-imine
CID 172345458
(3R)-4-fluoro-2,3-dimethyl-3H-pyrrole
CID 174038258
N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine
CID 170732055
N-[(E)-4-methylpent-1-enyl]butan-2-imine
CID 90063487
N-[(1Z)-buta-1,3-dienyl]-4-methylpent-1-en-3-imine
CID 126626592
N-ethenyl-4,4-dimethylpent-1-en-3-imine
CID 129082934
5-Propan-2-yl-1,4-diazacyclohepta-1,2,4,6-tetraene
CID 129103333

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine?
The IUPAC name of N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine (CID 171497204) is N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine.
What is the SMILES notation for N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine?
The canonical SMILES for N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine is C=C/N=C(\C(=C)F)C(C)C.
What is the InChIKey of N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine?
The InChIKey is GTDGHZYSKFMJEQ-NTMALXAHSA-N. The full InChI is InChI=1S/C8H12FN/c1-5-10-8(6(2)3)7(4)9/h5-6H,1,4H2,2-3H3/b10-8-.
What are the key properties of N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine?
N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine has a molecular weight of 141.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine is sourced from PubChem (CID 171497204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).