1,2-difluorochrysene

C18H10F2 — CID 86208925

IUPAC1,2-difluorochrysene
SMILESFc1ccc2c(ccc3c4ccccc4ccc23)c1F
InChIInChI=1S/C18H10F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10H
InChIKeyNPARIHLPAWOJKR-UHFFFAOYSA-N
MW264.27 g/mol
LogP5.42
Rot. Bonds

About 1,2-difluorochrysene

1,2-difluorochrysene (PubChem CID 86208925) has the molecular formula C18H10F2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1,2-difluorochrysene.

Molecular Properties

Compound Name1,2-difluorochrysene
PubChem CID86208925
Molecular FormulaC18H10F2
Molecular Weight264.27 g/mol
Exact Mass264.08
IUPAC Name1,2-difluorochrysene
SMILESFc1ccc2c(ccc3c4ccccc4ccc23)c1F
InChIInChI=1S/C18H10F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10H
InChIKeyNPARIHLPAWOJKR-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.27
LogP ≤ 55.42
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 1,2-difluorochrysene?
The IUPAC name of 1,2-difluorochrysene (CID 86208925) is 1,2-difluorochrysene.
What is the SMILES notation for 1,2-difluorochrysene?
The canonical SMILES for 1,2-difluorochrysene is Fc1ccc2c(ccc3c4ccccc4ccc23)c1F.
What is the InChIKey of 1,2-difluorochrysene?
The InChIKey is NPARIHLPAWOJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10H.
What are the key properties of 1,2-difluorochrysene?
1,2-difluorochrysene has a molecular weight of 264.27 g/mol, XLogP of 5.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorochrysene is sourced from PubChem (CID 86208925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).