1-chloro-8-fluorotriphenylene

C18H10ClF — CID 149499573

IUPAC1-chloro-8-fluorotriphenylene
SMILESFc1cccc2c3cccc(Cl)c3c3ccccc3c12
InChIInChI=1S/C18H10ClF/c19-15-9-3-7-12-14-8-4-10-16(20)18(14)13-6-2-1-5-11(13)17(12)15/h1-10H
InChIKeyZGSMHEUMQBAKMT-UHFFFAOYSA-N
MW280.73 g/mol
LogP5.94
Rot. Bonds

About 1-chloro-8-fluorotriphenylene

1-chloro-8-fluorotriphenylene (PubChem CID 149499573) has the molecular formula C18H10ClF and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-chloro-8-fluorotriphenylene.

Molecular Properties

Compound Name1-chloro-8-fluorotriphenylene
PubChem CID149499573
Molecular FormulaC18H10ClF
Molecular Weight280.73 g/mol
Exact Mass280.05
IUPAC Name1-chloro-8-fluorotriphenylene
SMILESFc1cccc2c3cccc(Cl)c3c3ccccc3c12
InChIInChI=1S/C18H10ClF/c19-15-9-3-7-12-14-8-4-10-16(20)18(14)13-6-2-1-5-11(13)17(12)15/h1-10H
InChIKeyZGSMHEUMQBAKMT-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.73
LogP ≤ 55.94
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

Pyrene, 1,3,6,8-tetrachloro-
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9,10-Dichloroanthracene
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1-Chloroanthracene
CID 39740
1-Chloropyrene
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7-Chlorobenz(a)anthracene
CID 88446
7-(Chloromethyl)benz(a)anthracene
CID 95722
1-(Chloromethyl)pyrene
CID 97581
6-Fluorochrysene
CID 255029
9-Chlorophenanthrene
CID 13694
1,8-Dichloro-10-methyl-anthracene
CID 4071761

Frequently Asked Questions

What is the IUPAC name of 1-chloro-8-fluorotriphenylene?
The IUPAC name of 1-chloro-8-fluorotriphenylene (CID 149499573) is 1-chloro-8-fluorotriphenylene.
What is the SMILES notation for 1-chloro-8-fluorotriphenylene?
The canonical SMILES for 1-chloro-8-fluorotriphenylene is Fc1cccc2c3cccc(Cl)c3c3ccccc3c12.
What is the InChIKey of 1-chloro-8-fluorotriphenylene?
The InChIKey is ZGSMHEUMQBAKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF/c19-15-9-3-7-12-14-8-4-10-16(20)18(14)13-6-2-1-5-11(13)17(12)15/h1-10H.
What are the key properties of 1-chloro-8-fluorotriphenylene?
1-chloro-8-fluorotriphenylene has a molecular weight of 280.73 g/mol, XLogP of 5.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-8-fluorotriphenylene is sourced from PubChem (CID 149499573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).