1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene

C30H42F2 — CID 70184913

IUPAC1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
SMILESCCCCCCCCCc1ccc(-c2ccc(/C(F)=C(\F)CCCCCCC)cc2)cc1
InChIInChI=1S/C30H42F2/c1-3-5-7-9-10-12-13-15-25-17-19-26(20-18-25)27-21-23-28(24-22-27)30(32)29(31)16-14-11-8-6-4-2/h17-24H,3-16H2,1-2H3/b30-29+
InChIKeySYAWANTWVIIAOU-QVIHXGFCSA-N
MW440.66 g/mol
LogP10.61
Rot. Bonds16

About 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene

1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene (PubChem CID 70184913) has the molecular formula C30H42F2 and a molecular weight of 440.66 g/mol. Its IUPAC name is 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene.

Molecular Properties

Compound Name1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
PubChem CID70184913
Molecular FormulaC30H42F2
Molecular Weight440.66 g/mol
Exact Mass440.33
IUPAC Name1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
SMILESCCCCCCCCCc1ccc(-c2ccc(/C(F)=C(\F)CCCCCCC)cc2)cc1
InChIInChI=1S/C30H42F2/c1-3-5-7-9-10-12-13-15-25-17-19-26(20-18-25)27-21-23-28(24-22-27)30(32)29(31)16-14-11-8-6-4-2/h17-24H,3-16H2,1-2H3/b30-29+
InChIKeySYAWANTWVIIAOU-QVIHXGFCSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.66
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene 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-[(Z)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 22123920
1-decyl-4-[2-[4-[(E)-1,2-difluoronon-1-enyl]phenyl]ethyl]benzene
CID 70029827
1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
4-[(E)-1,2-difluoronon-1-enyl]-2-(4-nonylphenyl)benzoic acid
CID 70029910
1-[(Z)-1,2-difluorohex-1-enyl]-4-(4-methylphenyl)benzene
CID 70028026
1-[(Z)-1,2-difluoropent-1-enyl]-4-[(4-octylphenyl)methoxy]benzene
CID 22991350
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-[(E)-1,2-difluorohex-1-enyl]-4-(4-fluorophenyl)benzene
CID 22991430
2-[4-[(E)-1,2-difluorooct-1-enyl]phenyl]-4-propylbenzoic acid
CID 22991478
4-(4-dodecylphenyl)benzoic acid
CID 3092136
1-[(Z)-1,2-difluorooct-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22941704
1-[(E)-1,2-difluorooct-1-enyl]-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
CID 22991563

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene?
The IUPAC name of 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene (CID 70184913) is 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene.
What is the SMILES notation for 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene?
The canonical SMILES for 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene is CCCCCCCCCc1ccc(-c2ccc(/C(F)=C(\F)CCCCCCC)cc2)cc1.
What is the InChIKey of 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene?
The InChIKey is SYAWANTWVIIAOU-QVIHXGFCSA-N. The full InChI is InChI=1S/C30H42F2/c1-3-5-7-9-10-12-13-15-25-17-19-26(20-18-25)27-21-23-28(24-22-27)30(32)29(31)16-14-11-8-6-4-2/h17-24H,3-16H2,1-2H3/b30-29+.
What are the key properties of 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene?
1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene has a molecular weight of 440.66 g/mol, XLogP of 10.61, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene is sourced from PubChem (CID 70184913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).