(2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal

C19H15FN4O — CID 14724027

IUPAC(2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal
SMILESCn1nnnc1C(/C=C/C=O)=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O/c1-24-19(21-22-23-24)17(8-5-13-25)18(14-6-3-2-4-7-14)15-9-11-16(20)12-10-15/h2-13H,1H3/b8-5+,18-17+
InChIKeyVDGAIWBTPXWGRK-RRCJXFLCSA-N
MW334.35 g/mol
LogP3.06
Rot. Bonds5

About (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal

(2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal (PubChem CID 14724027) has the molecular formula C19H15FN4O and a molecular weight of 334.35 g/mol. Its IUPAC name is (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal.

Molecular Properties

Compound Name(2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal
PubChem CID14724027
Molecular FormulaC19H15FN4O
Molecular Weight334.35 g/mol
Exact Mass334.12
IUPAC Name(2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal
SMILESCn1nnnc1C(/C=C/C=O)=C(\c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C19H15FN4O/c1-24-19(21-22-23-24)17(8-5-13-25)18(14-6-3-2-4-7-14)15-9-11-16(20)12-10-15/h2-13H,1H3/b8-5+,18-17+
InChIKeyVDGAIWBTPXWGRK-RRCJXFLCSA-N
XLogP3.06
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1,1-Bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)-1-propene
CID 14423939
Ethyl 3,3-bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)-2-propenoate
CID 14539522
bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)-2-propenoic acid
CID 14539524
3,3-Bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)-2-propenoyl chloride
CID 14539525
3,3-Bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)-2-propenol
CID 14539526
3,3-bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)propenal
CID 14539527
1,1-Bis(4-fluorophenyl)-2-(1-methyl-1H-tetrazol-5-yl)ethene
CID 14539528
(2E)-5,5-bis(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)penta-2,4-dienal
CID 14539529
3,3-Bis(4-fluorophenyl)-2-(1-ethyl-1H-tetrazol-5-yl)-2-propenal
CID 14723826
3,3-Bis(4-Fluorophenyl)-2-(2-ethyl-2H-tetrazol-5-yl)-2-propenal
CID 14723827
(2E)-4-(1-ethyltetrazol-5-yl)-5,5-bis(4-fluorophenyl)penta-2,4-dienal
CID 14723830
(2E)-4-(2-ethyltetrazol-5-yl)-5,5-bis(4-fluorophenyl)penta-2,4-dienal
CID 14723831

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal?
The IUPAC name of (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal (CID 14724027) is (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal.
What is the SMILES notation for (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal?
The canonical SMILES for (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal is Cn1nnnc1C(/C=C/C=O)=C(\c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal?
The InChIKey is VDGAIWBTPXWGRK-RRCJXFLCSA-N. The full InChI is InChI=1S/C19H15FN4O/c1-24-19(21-22-23-24)17(8-5-13-25)18(14-6-3-2-4-7-14)15-9-11-16(20)12-10-15/h2-13H,1H3/b8-5+,18-17+.
What are the key properties of (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal?
(2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal has a molecular weight of 334.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)-5-phenylpenta-2,4-dienal is sourced from PubChem (CID 14724027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).