9,10-difluoro-1,2,7,8-tetramethylphenanthrene

C18H16F2 — CID 132606777

IUPAC9,10-difluoro-1,2,7,8-tetramethylphenanthrene
SMILESCc1ccc2c(c1C)c(F)c(F)c1c(C)c(C)ccc12
InChIInChI=1S/C18H16F2/c1-9-5-7-13-14-8-6-10(2)12(4)16(14)18(20)17(19)15(13)11(9)3/h5-8H,1-4H3
InChIKeyIDMOGQQBRXQYPJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP5.50
Rot. Bonds

About 9,10-difluoro-1,2,7,8-tetramethylphenanthrene

9,10-difluoro-1,2,7,8-tetramethylphenanthrene (PubChem CID 132606777) has the molecular formula C18H16F2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 9,10-difluoro-1,2,7,8-tetramethylphenanthrene.

Molecular Properties

Compound Name9,10-difluoro-1,2,7,8-tetramethylphenanthrene
PubChem CID132606777
Molecular FormulaC18H16F2
Molecular Weight270.32 g/mol
Exact Mass270.12
IUPAC Name9,10-difluoro-1,2,7,8-tetramethylphenanthrene
SMILESCc1ccc2c(c1C)c(F)c(F)c1c(C)c(C)ccc12
InChIInChI=1S/C18H16F2/c1-9-5-7-13-14-8-6-10(2)12(4)16(14)18(20)17(19)15(13)11(9)3/h5-8H,1-4H3
InChIKeyIDMOGQQBRXQYPJ-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.32
LogP ≤ 55.50
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

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CID 14619660
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Frequently Asked Questions

What is the IUPAC name of 9,10-difluoro-1,2,7,8-tetramethylphenanthrene?
The IUPAC name of 9,10-difluoro-1,2,7,8-tetramethylphenanthrene (CID 132606777) is 9,10-difluoro-1,2,7,8-tetramethylphenanthrene.
What is the SMILES notation for 9,10-difluoro-1,2,7,8-tetramethylphenanthrene?
The canonical SMILES for 9,10-difluoro-1,2,7,8-tetramethylphenanthrene is Cc1ccc2c(c1C)c(F)c(F)c1c(C)c(C)ccc12.
What is the InChIKey of 9,10-difluoro-1,2,7,8-tetramethylphenanthrene?
The InChIKey is IDMOGQQBRXQYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2/c1-9-5-7-13-14-8-6-10(2)12(4)16(14)18(20)17(19)15(13)11(9)3/h5-8H,1-4H3.
What are the key properties of 9,10-difluoro-1,2,7,8-tetramethylphenanthrene?
9,10-difluoro-1,2,7,8-tetramethylphenanthrene has a molecular weight of 270.32 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-difluoro-1,2,7,8-tetramethylphenanthrene is sourced from PubChem (CID 132606777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).