6-[difluoro(phenyl)methyl]phenanthridine

C20H13F2N — CID 141426161

IUPAC6-[difluoro(phenyl)methyl]phenanthridine
SMILESFC(F)(c1ccccc1)c1nc2ccccc2c2ccccc12
InChIInChI=1S/C20H13F2N/c21-20(22,14-8-2-1-3-9-14)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)23-19/h1-13H
InChIKeyHNTKENNNUCTGHJ-UHFFFAOYSA-N
MW305.33 g/mol
LogP5.53
Rot. Bonds2

About 6-[difluoro(phenyl)methyl]phenanthridine

6-[difluoro(phenyl)methyl]phenanthridine (PubChem CID 141426161) has the molecular formula C20H13F2N and a molecular weight of 305.33 g/mol. Its IUPAC name is 6-[difluoro(phenyl)methyl]phenanthridine.

Molecular Properties

Compound Name6-[difluoro(phenyl)methyl]phenanthridine
PubChem CID141426161
Molecular FormulaC20H13F2N
Molecular Weight305.33 g/mol
Exact Mass305.10
IUPAC Name6-[difluoro(phenyl)methyl]phenanthridine
SMILESFC(F)(c1ccccc1)c1nc2ccccc2c2ccccc12
InChIInChI=1S/C20H13F2N/c21-20(22,14-8-2-1-3-9-14)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)23-19/h1-13H
InChIKeyHNTKENNNUCTGHJ-UHFFFAOYSA-N
XLogP5.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.33
LogP ≤ 55.53
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 6-[difluoro(phenyl)methyl]phenanthridine?
The IUPAC name of 6-[difluoro(phenyl)methyl]phenanthridine (CID 141426161) is 6-[difluoro(phenyl)methyl]phenanthridine.
What is the SMILES notation for 6-[difluoro(phenyl)methyl]phenanthridine?
The canonical SMILES for 6-[difluoro(phenyl)methyl]phenanthridine is FC(F)(c1ccccc1)c1nc2ccccc2c2ccccc12.
What is the InChIKey of 6-[difluoro(phenyl)methyl]phenanthridine?
The InChIKey is HNTKENNNUCTGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N/c21-20(22,14-8-2-1-3-9-14)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)23-19/h1-13H.
What are the key properties of 6-[difluoro(phenyl)methyl]phenanthridine?
6-[difluoro(phenyl)methyl]phenanthridine has a molecular weight of 305.33 g/mol, XLogP of 5.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[difluoro(phenyl)methyl]phenanthridine is sourced from PubChem (CID 141426161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).