2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C23H18F2 — CID 59770279

IUPAC2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESFC(F)c1ccc(C=C2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C23H18F2/c24-23(25)19-11-9-16(10-12-19)15-22-20-7-3-1-5-17(20)13-14-18-6-2-4-8-21(18)22/h1-12,15,23H,13-14H2
InChIKeyBQMXGGCSUMGXBC-UHFFFAOYSA-N
MW332.39 g/mol
LogP6.31
Rot. Bonds2

About 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 59770279) has the molecular formula C23H18F2 and a molecular weight of 332.39 g/mol. Its IUPAC name is 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID59770279
Molecular FormulaC23H18F2
Molecular Weight332.39 g/mol
Exact Mass332.14
IUPAC Name2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESFC(F)c1ccc(C=C2c3ccccc3CCc3ccccc32)cc1
InChIInChI=1S/C23H18F2/c24-23(25)19-11-9-16(10-12-19)15-22-20-7-3-1-5-17(20)13-14-18-6-2-4-8-21(18)22/h1-12,15,23H,13-14H2
InChIKeyBQMXGGCSUMGXBC-UHFFFAOYSA-N
XLogP6.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.39
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_A(13)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 59770279) is 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is FC(F)c1ccc(C=C2c3ccccc3CCc3ccccc32)cc1.
What is the InChIKey of 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is BQMXGGCSUMGXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2/c24-23(25)19-11-9-16(10-12-19)15-22-20-7-3-1-5-17(20)13-14-18-6-2-4-8-21(18)22/h1-12,15,23H,13-14H2.
What are the key properties of 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 332.39 g/mol, XLogP of 6.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethyl)phenyl]methylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 59770279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).