1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene

C20H17F — CID 164887728

IUPAC1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene
SMILESC=C1C(=C(C)C)C(c2ccc(F)cc2)=C1c1ccccc1
InChIInChI=1S/C20H17F/c1-13(2)18-14(3)19(15-7-5-4-6-8-15)20(18)16-9-11-17(21)12-10-16/h4-12H,3H2,1-2H3
InChIKeyWYPHWSFTPOASHM-UHFFFAOYSA-N
MW276.35 g/mol
LogP5.64
Rot. Bonds2

About 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene

1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene (PubChem CID 164887728) has the molecular formula C20H17F and a molecular weight of 276.35 g/mol. Its IUPAC name is 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene
PubChem CID164887728
Molecular FormulaC20H17F
Molecular Weight276.35 g/mol
Exact Mass276.13
IUPAC Name1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene
SMILESC=C1C(=C(C)C)C(c2ccc(F)cc2)=C1c1ccccc1
InChIInChI=1S/C20H17F/c1-13(2)18-14(3)19(15-7-5-4-6-8-15)20(18)16-9-11-17(21)12-10-16/h4-12H,3H2,1-2H3
InChIKeyWYPHWSFTPOASHM-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.35
LogP ≤ 55.64
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

3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 634528
lithium;1-fluoro-4-phenylbenzene;hydride
CID 173443965
(5Z)-5-(1-anilinoethylidene)-4-methylidene-2,3-diphenylcyclopent-2-en-1-one
CID 10451361
1-methyl-4-[2-(4-methylphenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
CID 164887648
1-chloro-4-[2-(4-chlorophenyl)-3,4-di(propan-2-ylidene)cyclobuten-1-yl]benzene
CID 164887651
difluoro-(4-fluorophenyl)-(4-phenylphenyl)boranuide
CID 140908387
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
(4-fluorophenyl)-[4-(4-fluorophenyl)phenyl]-phenyl-(4-phenylphenyl)silane
CID 176748741
fluorobenzene;N-propan-2-ylidenehydroxylamine
CID 174410539
trimethyl-(1-methylidene-3-phenylinden-2-yl)silane
CID 102084472
1-fluoro-4-(4-fluorophenyl)benzene;formaldehyde
CID 175463820

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene?
The IUPAC name of 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene (CID 164887728) is 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene.
What is the SMILES notation for 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene?
The canonical SMILES for 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene is C=C1C(=C(C)C)C(c2ccc(F)cc2)=C1c1ccccc1.
What is the InChIKey of 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene?
The InChIKey is WYPHWSFTPOASHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F/c1-13(2)18-14(3)19(15-7-5-4-6-8-15)20(18)16-9-11-17(21)12-10-16/h4-12H,3H2,1-2H3.
What are the key properties of 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene?
1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene has a molecular weight of 276.35 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(3-methylidene-2-phenyl-4-propan-2-ylidenecyclobuten-1-yl)benzene is sourced from PubChem (CID 164887728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).