4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene

C23H33F — CID 170199992

IUPAC4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene
SMILESC=C(/C=C\C=C(/C)CCc1cc(F)ccc1C)C(CCC)CCC
InChIInChI=1S/C23H33F/c1-6-9-21(10-7-2)19(4)12-8-11-18(3)13-15-22-17-23(24)16-14-20(22)5/h8,11-12,14,16-17,21H,4,6-7,9-10,13,15H2,1-3,5H3/b12-8-,18-11+
InChIKeyUNDITOYYLZTLRJ-AQPCGCSGSA-N
MW328.52 g/mol
LogP7.34
Rot. Bonds10

About 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene

4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene (PubChem CID 170199992) has the molecular formula C23H33F and a molecular weight of 328.52 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene.

Molecular Properties

Compound Name4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene
PubChem CID170199992
Molecular FormulaC23H33F
Molecular Weight328.52 g/mol
Exact Mass328.26
IUPAC Name4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene
SMILESC=C(/C=C\C=C(/C)CCc1cc(F)ccc1C)C(CCC)CCC
InChIInChI=1S/C23H33F/c1-6-9-21(10-7-2)19(4)12-8-11-18(3)13-15-22-17-23(24)16-14-20(22)5/h8,11-12,14,16-17,21H,4,6-7,9-10,13,15H2,1-3,5H3/b12-8-,18-11+
InChIKeyUNDITOYYLZTLRJ-AQPCGCSGSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.52
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene with MolForge

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Related Compounds

3-(aminomethyl)-1-(5-fluoro-2-methylphenyl)hexan-2-one
CID 105376591
1-(5-fluoro-2-methylphenyl)heptan-4-one
CID 105375483
1-(5-fluoro-2-methylphenyl)-3-hydroxyhexan-2-one
CID 103453932
1-(5-fluoro-2-methylphenyl)-N-propylheptan-4-amine
CID 105375522
1-(5-fluoro-2-methylphenyl)-5-methylhexan-3-ol
CID 105374706
2-[(5-fluoro-2-methylphenyl)methyl]-N-methylpentan-1-amine
CID 105374860
(6Z)-8-[[(9Z,11E)-14-[3-[(1E)-2-fluorobuta-1,3-dienyl]-2-methylphenyl]-3,12-dimethyl-8-methylidene-7-propyltetradeca-9,11-dien-2-ylidene]amino]-2,9-dimethyl-5-methylidenedeca-6,8-dien-4-one
CID 170200216
3-(5-fluoro-2-methylphenyl)propanal
CID 64522520
1-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylhexan-2-amine
CID 105374363
2-[(5-fluoro-2-methylphenyl)methyl-propylamino]ethanol
CID 115970191
3-ethyl-1-(5-fluoro-2-methylphenyl)heptan-2-one
CID 105376810
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene?
The IUPAC name of 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene (CID 170199992) is 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene.
What is the SMILES notation for 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene?
The canonical SMILES for 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene is C=C(/C=C\C=C(/C)CCc1cc(F)ccc1C)C(CCC)CCC.
What is the InChIKey of 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene?
The InChIKey is UNDITOYYLZTLRJ-AQPCGCSGSA-N. The full InChI is InChI=1S/C23H33F/c1-6-9-21(10-7-2)19(4)12-8-11-18(3)13-15-22-17-23(24)16-14-20(22)5/h8,11-12,14,16-17,21H,4,6-7,9-10,13,15H2,1-3,5H3/b12-8-,18-11+.
What are the key properties of 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene?
4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene has a molecular weight of 328.52 g/mol, XLogP of 7.34, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2-[(3E,5Z)-3-methyl-7-methylidene-8-propylundeca-3,5-dienyl]benzene is sourced from PubChem (CID 170199992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).