1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene

C19H19F3 — CID 54186156

IUPAC1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
SMILESFC=CCCCCCc1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H19F3/c20-13-5-3-1-2-4-6-15-7-9-16(10-8-15)17-11-12-18(21)19(22)14-17/h5,7-14H,1-4,6H2
InChIKeyPFGHKONSRQDTLY-UHFFFAOYSA-N
MW304.36 g/mol
LogP6.22
Rot. Bonds7

About 1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene

1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene (PubChem CID 54186156) has the molecular formula C19H19F3 and a molecular weight of 304.36 g/mol. Its IUPAC name is 1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
PubChem CID54186156
Molecular FormulaC19H19F3
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene
SMILESFC=CCCCCCc1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C19H19F3/c20-13-5-3-1-2-4-6-15-7-9-16(10-8-15)17-11-12-18(21)19(22)14-17/h5,7-14H,1-4,6H2
InChIKeyPFGHKONSRQDTLY-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.36
LogP ≤ 56.22
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-(8-fluorooct-7-enyl)phenyl]benzene
CID 54556893
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-(7-fluorohept-6-enyl)phenyl]benzene?
The IUPAC name of 1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene (CID 54186156) is 1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene.
What is the SMILES notation for 1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene?
The canonical SMILES for 1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene is FC=CCCCCCc1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene?
The InChIKey is PFGHKONSRQDTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3/c20-13-5-3-1-2-4-6-15-7-9-16(10-8-15)17-11-12-18(21)19(22)14-17/h5,7-14H,1-4,6H2.
What are the key properties of 1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene?
1,2-difluoro-4-[4-(7-fluorohept-6-enyl)phenyl]benzene has a molecular weight of 304.36 g/mol, XLogP of 6.22, 7 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-(7-fluorohept-6-enyl)phenyl]benzene is sourced from PubChem (CID 54186156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).