4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine

C16H19F2N — CID 156543737

IUPAC4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine
SMILESC=C/C(=N\C(=C)c1ccc(CCC)cc1)C(C)(F)F
InChIInChI=1S/C16H19F2N/c1-5-7-13-8-10-14(11-9-13)12(3)19-15(6-2)16(4,17)18/h6,8-11H,2-3,5,7H2,1,4H3/b19-15+
InChIKeyJYKPLXSEFBZDQM-XDJHFCHBSA-N
MW263.33 g/mol
LogP4.89
Rot. Bonds6

About 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine

4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine (PubChem CID 156543737) has the molecular formula C16H19F2N and a molecular weight of 263.33 g/mol. Its IUPAC name is 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine.

Molecular Properties

Compound Name4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine
PubChem CID156543737
Molecular FormulaC16H19F2N
Molecular Weight263.33 g/mol
Exact Mass263.15
IUPAC Name4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine
SMILESC=C/C(=N\C(=C)c1ccc(CCC)cc1)C(C)(F)F
InChIInChI=1S/C16H19F2N/c1-5-7-13-8-10-14(11-9-13)12(3)19-15(6-2)16(4,17)18/h6,8-11H,2-3,5,7H2,1,4H3/b19-15+
InChIKeyJYKPLXSEFBZDQM-XDJHFCHBSA-N
XLogP4.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine?
The IUPAC name of 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine (CID 156543737) is 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine.
What is the SMILES notation for 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine?
The canonical SMILES for 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine is C=C/C(=N\C(=C)c1ccc(CCC)cc1)C(C)(F)F.
What is the InChIKey of 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine?
The InChIKey is JYKPLXSEFBZDQM-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H19F2N/c1-5-7-13-8-10-14(11-9-13)12(3)19-15(6-2)16(4,17)18/h6,8-11H,2-3,5,7H2,1,4H3/b19-15+.
What are the key properties of 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine?
4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine has a molecular weight of 263.33 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[1-(4-propylphenyl)ethenyl]pent-1-en-3-imine is sourced from PubChem (CID 156543737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).