1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene

C20H21F3 — CID 54556893

IUPAC1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
SMILESFC=CCCCCCCc1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H21F3/c21-14-6-4-2-1-3-5-7-16-8-10-17(11-9-16)18-12-13-19(22)20(23)15-18/h6,8-15H,1-5,7H2
InChIKeyZNUHPCQODAPOAD-UHFFFAOYSA-N
MW318.38 g/mol
LogP6.61
Rot. Bonds8

About 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene

1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene (PubChem CID 54556893) has the molecular formula C20H21F3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
PubChem CID54556893
Molecular FormulaC20H21F3
Molecular Weight318.38 g/mol
Exact Mass318.16
IUPAC Name1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
SMILESFC=CCCCCCCc1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C20H21F3/c21-14-6-4-2-1-3-5-7-16-8-10-17(11-9-16)18-12-13-19(22)20(23)15-18/h6,8-15H,1-5,7H2
InChIKeyZNUHPCQODAPOAD-UHFFFAOYSA-N
XLogP6.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-difluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
CID 19798792
1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
CID 54186156
1-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
CID 19798855
1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
CID 54280038
2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile
CID 19798813
1,2-difluoro-4-[4-[5-[4-(3-fluoro-4-methylphenyl)phenyl]pentyl]phenyl]benzene
CID 167697950
4-[4-[2-(4-ethylphenyl)ethyl]phenyl]-1,2-difluorobenzene
CID 18984130
1-[(E)-4-fluorobut-3-enyl]-4-(4-pentylphenyl)benzene
CID 19798797
1,2-difluoro-4-[4-[4-[(E)-8-fluorooct-7-enyl]cyclohexyl]phenyl]benzene
CID 19798704
11-(3,4-difluorophenyl)undecanal
CID 123357909
2-fluoro-4-[4-[(Z)-4-fluorobut-3-enyl]phenyl]benzonitrile
CID 59077359
5-(3,4-difluorophenyl)pentanal
CID 82255703

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene (CID 54556893) is 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene is FC=CCCCCCCc1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene?
The InChIKey is ZNUHPCQODAPOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3/c21-14-6-4-2-1-3-5-7-16-8-10-17(11-9-16)18-12-13-19(22)20(23)15-18/h6,8-15H,1-5,7H2.
What are the key properties of 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene?
1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene has a molecular weight of 318.38 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene is sourced from PubChem (CID 54556893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).