1,2-difluorophenanthridine

C13H7F2N — CID 175109006

IUPAC1,2-difluorophenanthridine
SMILESFc1ccc2ncc3ccccc3c2c1F
InChIInChI=1S/C13H7F2N/c14-10-5-6-11-12(13(10)15)9-4-2-1-3-8(9)7-16-11/h1-7H
InChIKeyPANASNYEVMCYNZ-UHFFFAOYSA-N
MW215.20 g/mol
LogP3.67
Rot. Bonds

About 1,2-difluorophenanthridine

1,2-difluorophenanthridine (PubChem CID 175109006) has the molecular formula C13H7F2N and a molecular weight of 215.20 g/mol. Its IUPAC name is 1,2-difluorophenanthridine.

Molecular Properties

Compound Name1,2-difluorophenanthridine
PubChem CID175109006
Molecular FormulaC13H7F2N
Molecular Weight215.20 g/mol
Exact Mass215.05
IUPAC Name1,2-difluorophenanthridine
SMILESFc1ccc2ncc3ccccc3c2c1F
InChIInChI=1S/C13H7F2N/c14-10-5-6-11-12(13(10)15)9-4-2-1-3-8(9)7-16-11/h1-7H
InChIKeyPANASNYEVMCYNZ-UHFFFAOYSA-N
XLogP3.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-difluorophenanthridine?
The IUPAC name of 1,2-difluorophenanthridine (CID 175109006) is 1,2-difluorophenanthridine.
What is the SMILES notation for 1,2-difluorophenanthridine?
The canonical SMILES for 1,2-difluorophenanthridine is Fc1ccc2ncc3ccccc3c2c1F.
What is the InChIKey of 1,2-difluorophenanthridine?
The InChIKey is PANASNYEVMCYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F2N/c14-10-5-6-11-12(13(10)15)9-4-2-1-3-8(9)7-16-11/h1-7H.
What are the key properties of 1,2-difluorophenanthridine?
1,2-difluorophenanthridine has a molecular weight of 215.20 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorophenanthridine is sourced from PubChem (CID 175109006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).