2-fluorotriphenylene

C18H11F — CID 23233895

IUPAC2-fluorotriphenylene
SMILESFc1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C18H11F/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
InChIKeyCIBKDGSKPMCRAT-UHFFFAOYSA-N
MW246.28 g/mol
LogP5.29
Rot. Bonds

About 2-fluorotriphenylene

2-fluorotriphenylene (PubChem CID 23233895) has the molecular formula C18H11F and a molecular weight of 246.28 g/mol. Its IUPAC name is 2-fluorotriphenylene.

Molecular Properties

Compound Name2-fluorotriphenylene
PubChem CID23233895
Molecular FormulaC18H11F
Molecular Weight246.28 g/mol
Exact Mass246.08
IUPAC Name2-fluorotriphenylene
SMILESFc1ccc2c3ccccc3c3ccccc3c2c1
InChIInChI=1S/C18H11F/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H
InChIKeyCIBKDGSKPMCRAT-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.28
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,5,6,11,12-pentafluorotetracene
CID 139777268
6-fluoro-1H-phenanthro[9,10-d]pyrazole
CID 141323090
2,9-difluorophenanthrene
CID 86174396
1,3,9-trifluorophenanthrene
CID 123184846
5-fluoro-18-nitrohexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15(20),16,18,21,23,25-tridecaene
CID 102487100
9,10-bis(2,4-difluorophenyl)-2-fluoroanthracene
CID 87425597
2-fluoro-9,10-bis(2,3,5,6-tetrafluorophenyl)anthracene
CID 87425635
2-fluoro-10-hydroxyphenanthrene-9-carboxylic acid
CID 174931024
2-(7-fluorotriphenylen-2-yl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 121287208
4,18-difluoro-21-methyl-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8,10,12,15(20),16,18-decaene
CID 166446600
1,3,7-trifluorophenanthrene
CID 123732969
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574

Frequently Asked Questions

What is the IUPAC name of 2-fluorotriphenylene?
The IUPAC name of 2-fluorotriphenylene (CID 23233895) is 2-fluorotriphenylene.
What is the SMILES notation for 2-fluorotriphenylene?
The canonical SMILES for 2-fluorotriphenylene is Fc1ccc2c3ccccc3c3ccccc3c2c1.
What is the InChIKey of 2-fluorotriphenylene?
The InChIKey is CIBKDGSKPMCRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F/c19-12-9-10-17-15-7-2-1-5-13(15)14-6-3-4-8-16(14)18(17)11-12/h1-11H.
What are the key properties of 2-fluorotriphenylene?
2-fluorotriphenylene has a molecular weight of 246.28 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorotriphenylene is sourced from PubChem (CID 23233895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).