1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene

C24H30F2 — CID 22991673

IUPAC1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene
SMILESCCC/C=C/c1ccc(CCCCc2cc(F)c(CCC)c(F)c2)cc1
InChIInChI=1S/C24H30F2/c1-3-5-6-10-19-13-15-20(16-14-19)11-7-8-12-21-17-23(25)22(9-4-2)24(26)18-21/h6,10,13-18H,3-5,7-9,11-12H2,1-2H3/b10-6+
InChIKeyUQCVSSIOCSFHQC-UXBLZVDNSA-N
MW356.50 g/mol
LogP7.30
Rot. Bonds10

About 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene

1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene (PubChem CID 22991673) has the molecular formula C24H30F2 and a molecular weight of 356.50 g/mol. Its IUPAC name is 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene.

Molecular Properties

Compound Name1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene
PubChem CID22991673
Molecular FormulaC24H30F2
Molecular Weight356.50 g/mol
Exact Mass356.23
IUPAC Name1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene
SMILESCCC/C=C/c1ccc(CCCCc2cc(F)c(CCC)c(F)c2)cc1
InChIInChI=1S/C24H30F2/c1-3-5-6-10-19-13-15-20(16-14-19)11-7-8-12-21-17-23(25)22(9-4-2)24(26)18-21/h6,10,13-18H,3-5,7-9,11-12H2,1-2H3/b10-6+
InChIKeyUQCVSSIOCSFHQC-UXBLZVDNSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.50
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-decyl-4-hept-1-enylbenzene
CID 173045869
1-hex-1-enyl-4-[(4-propylphenyl)methyl]benzene
CID 54142256
2-fluoro-1-[(E)-pent-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991382
4-[2-(2,6-difluoro-4-pent-1-enylphenyl)ethyl]-2,6-difluorobenzonitrile
CID 54506940
1,3-difluoro-2,5-dipentylbenzene
CID 138738043
2-[2-[4-(4-butylphenyl)phenyl]ethenyl]-1,3-difluoro-5-propylbenzene
CID 118528142
4-(4-hexylphenyl)but-3-ene-1-thiol
CID 170479144
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1,3-difluoro-5-pent-1-enylbenzene
CID 54454502
1-heptyl-4-[[4-[(E)-pent-1-enyl]phenoxy]methyl]benzene
CID 22991613
3-(4-hexylphenyl)prop-2-en-1-ol
CID 169454033
2-fluoro-4-[2-[4-[(E)-hept-1-enyl]phenyl]ethyl]benzonitrile
CID 22991686
1-[(E)-pent-1-enyl]-4-[(4-propylphenoxy)methyl]benzene
CID 70028075

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene?
The IUPAC name of 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene (CID 22991673) is 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene.
What is the SMILES notation for 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene?
The canonical SMILES for 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene is CCC/C=C/c1ccc(CCCCc2cc(F)c(CCC)c(F)c2)cc1.
What is the InChIKey of 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene?
The InChIKey is UQCVSSIOCSFHQC-UXBLZVDNSA-N. The full InChI is InChI=1S/C24H30F2/c1-3-5-6-10-19-13-15-20(16-14-19)11-7-8-12-21-17-23(25)22(9-4-2)24(26)18-21/h6,10,13-18H,3-5,7-9,11-12H2,1-2H3/b10-6+.
What are the key properties of 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene?
1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene has a molecular weight of 356.50 g/mol, XLogP of 7.30, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-[4-[4-[(E)-pent-1-enyl]phenyl]butyl]-2-propylbenzene is sourced from PubChem (CID 22991673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).