N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine

C13H22FN — CID 168972730

IUPACN-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine
SMILESC=C(CCCC)/C(F)=C\N=C(/C)CCC
InChIInChI=1S/C13H22FN/c1-5-7-9-11(3)13(14)10-15-12(4)8-6-2/h10H,3,5-9H2,1-2,4H3/b13-10+,15-12+
InChIKeyQIKFHNLRBJDRJZ-WZDZGYJVSA-N
MW211.32 g/mol
LogP4.80
Rot. Bonds7

About N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine

N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine (PubChem CID 168972730) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine.

Molecular Properties

Compound NameN-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine
PubChem CID168972730
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC NameN-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine
SMILESC=C(CCCC)/C(F)=C\N=C(/C)CCC
InChIInChI=1S/C13H22FN/c1-5-7-9-11(3)13(14)10-15-12(4)8-6-2/h10H,3,5-9H2,1-2,4H3/b13-10+,15-12+
InChIKeyQIKFHNLRBJDRJZ-WZDZGYJVSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68046822
N-[(Z)-2-ethenylhept-1-enyl]-1,1,1-trifluorohexan-2-imine
CID 121405090
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123850187
N-ethyl-1-fluoro-4-methylpent-4-en-2-imine
CID 134534231
2-Methyl-5-(trifluoromethyl)-3,4-dihydropyridine
CID 142966293
5-Ethyl-2-fluoro-3,4-dihydropyridine
CID 155485405
2-(Difluoromethyl)-5-methyl-3,4-dihydropyridine
CID 156046916
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
(Z)-N-(1-fluoroethenyl)-3,4-dimethylidenehexan-2-imine
CID 156637741
(E)-1,1-difluoro-2-N,5-dimethyl-4-methylidene-6-N-pentan-2-ylidenehex-5-ene-2,6-diimine
CID 174319468
2-Methyl-5-(3,3,3-trifluoroprop-1-en-2-yl)-3,4-dihydropyridine
CID 144809525
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine
CID 168972313

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine?
The IUPAC name of N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine (CID 168972730) is N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine.
What is the SMILES notation for N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine?
The canonical SMILES for N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine is C=C(CCCC)/C(F)=C\N=C(/C)CCC.
What is the InChIKey of N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine?
The InChIKey is QIKFHNLRBJDRJZ-WZDZGYJVSA-N. The full InChI is InChI=1S/C13H22FN/c1-5-7-9-11(3)13(14)10-15-12(4)8-6-2/h10H,3,5-9H2,1-2,4H3/b13-10+,15-12+.
What are the key properties of N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine?
N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine has a molecular weight of 211.32 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluoro-3-methylidenehept-1-enyl]pentan-2-imine is sourced from PubChem (CID 168972730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).