N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine

C8H12FN — CID 142996717

IUPACN-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine
SMILESC=C/C=C\N=C(/C)C(C)F
InChIInChI=1S/C8H12FN/c1-4-5-6-10-8(3)7(2)9/h4-7H,1H2,2-3H3/b6-5-,10-8+
InChIKeyYKXLXRKHVLTZBY-UGXDAERVSA-N
MW141.19 g/mol
LogP2.51
Rot. Bonds3

About N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine

N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine (PubChem CID 142996717) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine
PubChem CID142996717
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine
SMILESC=C/C=C\N=C(/C)C(C)F
InChIInChI=1S/C8H12FN/c1-4-5-6-10-8(3)7(2)9/h4-7H,1H2,2-3H3/b6-5-,10-8+
InChIKeyYKXLXRKHVLTZBY-UGXDAERVSA-N
XLogP2.51
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 ≤ 52.51
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-[(Z)-prop-1-enyl]ethanimidoyl fluoride
CID 129055348
N-[(1E)-2-fluorobuta-1,3-dienyl]-3,3-dimethylbutan-2-imine
CID 138751979
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
(E)-N-[(1E)-1-fluorobuta-1,3-dienyl]butan-2-imine
CID 144064637
N-[(1E)-2-fluorobuta-1,3-dienyl]propan-2-imine
CID 144406111
4-fluoro-N-[(Z)-pent-1-enyl]pent-1-en-3-imine
CID 146342859
5,5,5-trifluoro-N-[(1Z)-3-iodobuta-1,3-dienyl]pentan-2-imine
CID 149562533
N-[(1Z)-buta-1,3-dienyl]ethanimidoyl fluoride
CID 156479491
1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine
CID 164958696
N-[(1E)-1-fluorobuta-1,3-dienyl]butan-2-imine
CID 170296968
N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylbutan-2-imine
CID 170732083
3-fluoro-N-[(Z)-pent-1-enyl]pentan-2-imine
CID 171815544

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine (CID 142996717) is N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine is C=C/C=C\N=C(/C)C(C)F.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine?
The InChIKey is YKXLXRKHVLTZBY-UGXDAERVSA-N. The full InChI is InChI=1S/C8H12FN/c1-4-5-6-10-8(3)7(2)9/h4-7H,1H2,2-3H3/b6-5-,10-8+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine?
N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine has a molecular weight of 141.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]-3-fluorobutan-2-imine is sourced from PubChem (CID 142996717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).