ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine

C8H14FN — CID 144746713

IUPACethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C(/F)C(=C)C.CC
InChIInChI=1S/C6H8FN.C2H6/c1-5(2)6(7)4-8-3;1-2/h4H,1,3H2,2H3;1-2H3/b6-4+;
InChIKeyUMOMFASTDBVQAP-CVDVRWGVSA-N
MW143.20 g/mol
LogP3.10
Rot. Bonds2

About ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine

ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine (PubChem CID 144746713) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine.

Molecular Properties

Compound Nameethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
PubChem CID144746713
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Nameethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine
SMILESC=N/C=C(/F)C(=C)C.CC
InChIInChI=1S/C6H8FN.C2H6/c1-5(2)6(7)4-8-3;1-2/h4H,1,3H2,2H3;1-2H3/b6-4+;
InChIKeyUMOMFASTDBVQAP-CVDVRWGVSA-N
XLogP3.10
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 ≤ 53.10
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

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-(2-fluorobut-1-enyl)methanimine
CID 123189785
N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine
CID 123285144
N-(2-fluoro-3-methylbuta-1,3-dienyl)methanimine
CID 123320493
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123850187
N-[(1E,3Z)-3-fluoro-4-iodo-2-methylbuta-1,3-dienyl]methanimine
CID 126556867
N-[(1E,3E)-2-fluoro-4-methylhexa-1,3-dienyl]methanimine
CID 129106503
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(E)-2-fluorobut-1-enyl]methanimine
CID 134191875
N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine
CID 137409517
N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine
CID 137409528
N-[(E)-2-fluoro-4,4-dimethyl-3-methylidenepent-1-enyl]methanimine
CID 142421723

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine?
The IUPAC name of ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine (CID 144746713) is ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine.
What is the SMILES notation for ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine?
The canonical SMILES for ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine is C=N/C=C(/F)C(=C)C.CC.
What is the InChIKey of ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine?
The InChIKey is UMOMFASTDBVQAP-CVDVRWGVSA-N. The full InChI is InChI=1S/C6H8FN.C2H6/c1-5(2)6(7)4-8-3;1-2/h4H,1,3H2,2H3;1-2H3/b6-4+;.
What are the key properties of ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine?
ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine has a molecular weight of 143.20 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]methanimine is sourced from PubChem (CID 144746713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).