(2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine

C18H22FN — CID 91071303

IUPAC(2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(C(=C)c1ccc(F)cc1)=C(/C=CCC)CCC
InChIInChI=1S/C18H22FN/c1-4-6-8-16(7-5-2)18(13-20)14(3)15-9-11-17(19)12-10-15/h6,8-13,20H,3-5,7H2,1-2H3/b8-6?,18-16-,20-13+
InChIKeyPZDNFSCMIJHRCL-DFPUOFSXSA-N
MW271.38 g/mol
LogP5.55
Rot. Bonds7

About (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine

(2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine (PubChem CID 91071303) has the molecular formula C18H22FN and a molecular weight of 271.38 g/mol. Its IUPAC name is (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine
PubChem CID91071303
Molecular FormulaC18H22FN
Molecular Weight271.38 g/mol
Exact Mass271.17
IUPAC Name(2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine
SMILES[H]/N=C/C(C(=C)c1ccc(F)cc1)=C(/C=CCC)CCC
InChIInChI=1S/C18H22FN/c1-4-6-8-16(7-5-2)18(13-20)14(3)15-9-11-17(19)12-10-15/h6,8-13,20H,3-5,7H2,1-2H3/b8-6?,18-16-,20-13+
InChIKeyPZDNFSCMIJHRCL-DFPUOFSXSA-N
XLogP5.55
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.38
LogP ≤ 55.55
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine?
The IUPAC name of (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine (CID 91071303) is (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine?
The canonical SMILES for (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine is [H]/N=C/C(C(=C)c1ccc(F)cc1)=C(/C=CCC)CCC.
What is the InChIKey of (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine?
The InChIKey is PZDNFSCMIJHRCL-DFPUOFSXSA-N. The full InChI is InChI=1S/C18H22FN/c1-4-6-8-16(7-5-2)18(13-20)14(3)15-9-11-17(19)12-10-15/h6,8-13,20H,3-5,7H2,1-2H3/b8-6?,18-16-,20-13+.
What are the key properties of (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine?
(2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine has a molecular weight of 271.38 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[1-(4-fluorophenyl)ethenyl]-3-propylhepta-2,4-dien-1-imine is sourced from PubChem (CID 91071303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).