N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine

C14H24FN — CID 155136043

IUPACN-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine
SMILESC=C/C(F)=C\N=C\CCCCCCCCC
InChIInChI=1S/C14H24FN/c1-3-5-6-7-8-9-10-11-12-16-13-14(15)4-2/h4,12-13H,2-3,5-11H2,1H3/b14-13+,16-12+
InChIKeyHCSCNQYWXWRPOY-FHRFHXRFSA-N
MW225.35 g/mol
LogP5.19
Rot. Bonds10

About N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine

N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine (PubChem CID 155136043) has the molecular formula C14H24FN and a molecular weight of 225.35 g/mol. Its IUPAC name is N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine.

Molecular Properties

Compound NameN-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine
PubChem CID155136043
Molecular FormulaC14H24FN
Molecular Weight225.35 g/mol
Exact Mass225.19
IUPAC NameN-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine
SMILESC=C/C(F)=C\N=C\CCCCCCCCC
InChIInChI=1S/C14H24FN/c1-3-5-6-7-8-9-10-11-12-16-13-14(15)4-2/h4,12-13H,2-3,5-11H2,1H3/b14-13+,16-12+
InChIKeyHCSCNQYWXWRPOY-FHRFHXRFSA-N
XLogP5.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500225.35
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine?
The IUPAC name of N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine (CID 155136043) is N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine.
What is the SMILES notation for N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine?
The canonical SMILES for N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine is C=C/C(F)=C\N=C\CCCCCCCCC.
What is the InChIKey of N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine?
The InChIKey is HCSCNQYWXWRPOY-FHRFHXRFSA-N. The full InChI is InChI=1S/C14H24FN/c1-3-5-6-7-8-9-10-11-12-16-13-14(15)4-2/h4,12-13H,2-3,5-11H2,1H3/b14-13+,16-12+.
What are the key properties of N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine?
N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine has a molecular weight of 225.35 g/mol, XLogP of 5.19, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E)-2-fluorobuta-1,3-dienyl]decan-1-imine is sourced from PubChem (CID 155136043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).