1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene

C19H19F — CID 72568917

IUPAC1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene
SMILESC=CCC=CCCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19F/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h2,4-5,8-15H,1,3,6-7H2
InChIKeyRCAAHFAVPPWCOH-UHFFFAOYSA-N
MW266.36 g/mol
LogP5.56
Rot. Bonds6

About 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene

1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene (PubChem CID 72568917) has the molecular formula C19H19F and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene
PubChem CID72568917
Molecular FormulaC19H19F
Molecular Weight266.36 g/mol
Exact Mass266.15
IUPAC Name1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene
SMILESC=CCC=CCCc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H19F/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h2,4-5,8-15H,1,3,6-7H2
InChIKeyRCAAHFAVPPWCOH-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.36
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
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CID 139754130
1-fluoro-4-non-8-enylbenzene
CID 57222789
1-fluoro-4-[4-(2-iodoethyl)phenyl]benzene
CID 66577934
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
5-[2-(4-but-3-enylphenyl)ethynyl]-1,3-difluoro-2-(4-fluorophenyl)benzene
CID 139799035
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
CID 175463820
5-but-3-enyl-2-(4-fluorophenyl)pyrimidine
CID 19899870
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
(E)-N-[(E)-(4-fluorophenyl)methylideneamino]-1-(4-pent-4-enylphenyl)methanimine
CID 19368344

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene?
The IUPAC name of 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene (CID 72568917) is 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene.
What is the SMILES notation for 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene?
The canonical SMILES for 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene is C=CCC=CCCc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene?
The InChIKey is RCAAHFAVPPWCOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F/c1-2-3-4-5-6-7-16-8-10-17(11-9-16)18-12-14-19(20)15-13-18/h2,4-5,8-15H,1,3,6-7H2.
What are the key properties of 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene?
1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene has a molecular weight of 266.36 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(4-hepta-3,6-dienylphenyl)benzene is sourced from PubChem (CID 72568917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).