1-chloro-4-fluorobenzo[c]phenanthrene

C18H10ClF — CID 11108760

IUPAC1-chloro-4-fluorobenzo[c]phenanthrene
SMILESFc1ccc(Cl)c2c1ccc1ccc3ccccc3c12
InChIInChI=1S/C18H10ClF/c19-15-9-10-16(20)14-8-7-12-6-5-11-3-1-2-4-13(11)17(12)18(14)15/h1-10H
InChIKeyJDNAFWOIPIWBFE-UHFFFAOYSA-N
MW280.73 g/mol
LogP5.94
Rot. Bonds

About 1-chloro-4-fluorobenzo[c]phenanthrene

1-chloro-4-fluorobenzo[c]phenanthrene (PubChem CID 11108760) has the molecular formula C18H10ClF and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-chloro-4-fluorobenzo[c]phenanthrene.

Molecular Properties

Compound Name1-chloro-4-fluorobenzo[c]phenanthrene
PubChem CID11108760
Molecular FormulaC18H10ClF
Molecular Weight280.73 g/mol
Exact Mass280.05
IUPAC Name1-chloro-4-fluorobenzo[c]phenanthrene
SMILESFc1ccc(Cl)c2c1ccc1ccc3ccccc3c12
InChIInChI=1S/C18H10ClF/c19-15-9-10-16(20)14-8-7-12-6-5-11-3-1-2-4-13(11)17(12)18(14)15/h1-10H
InChIKeyJDNAFWOIPIWBFE-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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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluorobenzo[c]phenanthrene?
The IUPAC name of 1-chloro-4-fluorobenzo[c]phenanthrene (CID 11108760) is 1-chloro-4-fluorobenzo[c]phenanthrene.
What is the SMILES notation for 1-chloro-4-fluorobenzo[c]phenanthrene?
The canonical SMILES for 1-chloro-4-fluorobenzo[c]phenanthrene is Fc1ccc(Cl)c2c1ccc1ccc3ccccc3c12.
What is the InChIKey of 1-chloro-4-fluorobenzo[c]phenanthrene?
The InChIKey is JDNAFWOIPIWBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF/c19-15-9-10-16(20)14-8-7-12-6-5-11-3-1-2-4-13(11)17(12)18(14)15/h1-10H.
What are the key properties of 1-chloro-4-fluorobenzo[c]phenanthrene?
1-chloro-4-fluorobenzo[c]phenanthrene 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-4-fluorobenzo[c]phenanthrene is sourced from PubChem (CID 11108760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).