1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene

C18H12F2 — CID 139880103

IUPAC1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene
SMILESC=C1C=CC(c2ccc(F)cc2)=C1c1ccc(F)cc1
InChIInChI=1S/C18H12F2/c1-12-2-11-17(13-3-7-15(19)8-4-13)18(12)14-5-9-16(20)10-6-14/h2-11H,1H2
InChIKeyWYJNQZDWUUCISN-UHFFFAOYSA-N
MW266.29 g/mol
LogP5.00
Rot. Bonds2

About 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene

1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene (PubChem CID 139880103) has the molecular formula C18H12F2 and a molecular weight of 266.29 g/mol. Its IUPAC name is 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene
PubChem CID139880103
Molecular FormulaC18H12F2
Molecular Weight266.29 g/mol
Exact Mass266.09
IUPAC Name1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene
SMILESC=C1C=CC(c2ccc(F)cc2)=C1c1ccc(F)cc1
InChIInChI=1S/C18H12F2/c1-12-2-11-17(13-3-7-15(19)8-4-13)18(12)14-5-9-16(20)10-6-14/h2-11H,1H2
InChIKeyWYJNQZDWUUCISN-UHFFFAOYSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.29
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
CID 175463820
1,4-difluorobenzene bromide
CID 21301175
2,3,4,5-tetrakis(4-fluorophenyl)cyclopenta-2,4-dien-1-ol
CID 102265696
1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene
CID 164887728
(2Z)-2-(fluoromethylidene)-5-(4-fluorophenyl)-3-methylidene-1H-pyrrole;molecular hydrogen
CID 172606692
3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 634528
1,2-bis(4-fluorophenyl)acenaphthylene
CID 23635200
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
1-[4-(4-fluorophenyl)phenyl]ethenol
CID 143634078
2-ethenyl-5-(4-fluorophenyl)-1H-pyrrole
CID 167028653
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene?
The IUPAC name of 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene (CID 139880103) is 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene?
The canonical SMILES for 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene is C=C1C=CC(c2ccc(F)cc2)=C1c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene?
The InChIKey is WYJNQZDWUUCISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2/c1-12-2-11-17(13-3-7-15(19)8-4-13)18(12)14-5-9-16(20)10-6-14/h2-11H,1H2.
What are the key properties of 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene?
1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene has a molecular weight of 266.29 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(4-fluorophenyl)-3-methylidenecyclopenta-1,4-dien-1-yl]benzene is sourced from PubChem (CID 139880103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).