N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine

C7H10FN — CID 144826258

IUPACN-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine
SMILESC=C(C)/C(F)=C\N=C\C
InChIInChI=1S/C7H10FN/c1-4-9-5-7(8)6(2)3/h4-5H,2H2,1,3H3/b7-5+,9-4+
InChIKeyAPTIFAQAVIEXFV-PGWPIGLESA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine

N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine (PubChem CID 144826258) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine
PubChem CID144826258
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC NameN-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine
SMILESC=C(C)/C(F)=C\N=C\C
InChIInChI=1S/C7H10FN/c1-4-9-5-7(8)6(2)3/h4-5H,2H2,1,3H3/b7-5+,9-4+
InChIKeyAPTIFAQAVIEXFV-PGWPIGLESA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
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-[(1Z)-2-methylbuta-1,3-dienyl]ethanimidoyl fluoride
CID 88061450
N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
3-Fluoro-5-methyl-3,4-dihydropyridine
CID 89642561
4-Fluoro-5-methyl-3,4-dihydropyridine
CID 90764020
N-(1-fluoro-2,3-dimethylbuta-1,3-dienyl)methanimine
CID 123285144
N-(2-fluoro-3-methylbuta-1,3-dienyl)methanimine
CID 123320493
2-fluoro-N-[(1Z)-3-methylidenepenta-1,4-dienyl]ethanimine
CID 123607072
N-(2-fluoroprop-1-enyl)ethanimine
CID 123691073
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]propan-2-imine
CID 123850187
N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
CID 123912308
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-(2-methylprop-1-enyl)ethanimidoyl fluoride
CID 139386645

Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine (CID 144826258) is N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine is C=C(C)/C(F)=C\N=C\C.
What is the InChIKey of N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine?
The InChIKey is APTIFAQAVIEXFV-PGWPIGLESA-N. The full InChI is InChI=1S/C7H10FN/c1-4-9-5-7(8)6(2)3/h4-5H,2H2,1,3H3/b7-5+,9-4+.
What are the key properties of N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine?
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 144826258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).