1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene

C20H22F2 — CID 54280038

IUPAC1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
SMILESFC=CCCCCCCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22F2/c21-16-6-4-2-1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(22)15-13-19/h6,8-16H,1-5,7H2
InChIKeyRQEDTIMEOBWXMG-UHFFFAOYSA-N
MW300.39 g/mol
LogP6.47
Rot. Bonds8

About 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene

1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene (PubChem CID 54280038) has the molecular formula C20H22F2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
PubChem CID54280038
Molecular FormulaC20H22F2
Molecular Weight300.39 g/mol
Exact Mass300.17
IUPAC Name1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
SMILESFC=CCCCCCCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H22F2/c21-16-6-4-2-1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(22)15-13-19/h6,8-16H,1-5,7H2
InChIKeyRQEDTIMEOBWXMG-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 56.47
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-fluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
CID 19798855
1,2-difluoro-4-[4-[(E)-7-fluorohept-6-enyl]phenyl]benzene
CID 19798792
1,2-difluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene
CID 54556893
1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
CID 54186156
1-fluoro-4-non-8-enylbenzene
CID 57222789
2-fluoro-4-[4-[(E)-6-fluorohex-5-enyl]phenyl]benzonitrile
CID 19798813
1-[(E)-4-fluorobut-3-enyl]-4-(4-pentylphenyl)benzene
CID 19798797
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene
CID 72568917
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
1-(5-chloropentyl)-4-fluorobenzene
CID 57030730
1-(4-fluorophenyl)-4-[9-[4-(4-fluorophenyl)phenyl]nonyl]-2-methylbenzene
CID 155259476

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene?
The IUPAC name of 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene (CID 54280038) is 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene.
What is the SMILES notation for 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene?
The canonical SMILES for 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene is FC=CCCCCCCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene?
The InChIKey is RQEDTIMEOBWXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2/c21-16-6-4-2-1-3-5-7-17-8-10-18(11-9-17)19-12-14-20(22)15-13-19/h6,8-16H,1-5,7H2.
What are the key properties of 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene?
1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene has a molecular weight of 300.39 g/mol, XLogP of 6.47, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[4-(8-fluorooct-7-enyl)phenyl]benzene is sourced from PubChem (CID 54280038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).