7-fluoro-10,10-dimethylbenzo[b]fluorene

C19H15F — CID 132546502

IUPAC7-fluoro-10,10-dimethylbenzo[b]fluorene
SMILESCC1(C)C2=Cc3ccccc3C2=Cc2cc(F)ccc21
InChIInChI=1S/C19H15F/c1-19(2)17-8-7-14(20)9-13(17)10-16-15-6-4-3-5-12(15)11-18(16)19/h3-11H,1-2H3
InChIKeyKTMNJQBIMSRZED-UHFFFAOYSA-N
MW262.33 g/mol
LogP5.05
Rot. Bonds

About 7-fluoro-10,10-dimethylbenzo[b]fluorene

7-fluoro-10,10-dimethylbenzo[b]fluorene (PubChem CID 132546502) has the molecular formula C19H15F and a molecular weight of 262.33 g/mol. Its IUPAC name is 7-fluoro-10,10-dimethylbenzo[b]fluorene.

Molecular Properties

Compound Name7-fluoro-10,10-dimethylbenzo[b]fluorene
PubChem CID132546502
Molecular FormulaC19H15F
Molecular Weight262.33 g/mol
Exact Mass262.12
IUPAC Name7-fluoro-10,10-dimethylbenzo[b]fluorene
SMILESCC1(C)C2=Cc3ccccc3C2=Cc2cc(F)ccc21
InChIInChI=1S/C19H15F/c1-19(2)17-8-7-14(20)9-13(17)10-16-15-6-4-3-5-12(15)11-18(16)19/h3-11H,1-2H3
InChIKeyKTMNJQBIMSRZED-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.33
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-10,10-dimethylbenzo[b]fluorene?
The IUPAC name of 7-fluoro-10,10-dimethylbenzo[b]fluorene (CID 132546502) is 7-fluoro-10,10-dimethylbenzo[b]fluorene.
What is the SMILES notation for 7-fluoro-10,10-dimethylbenzo[b]fluorene?
The canonical SMILES for 7-fluoro-10,10-dimethylbenzo[b]fluorene is CC1(C)C2=Cc3ccccc3C2=Cc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-10,10-dimethylbenzo[b]fluorene?
The InChIKey is KTMNJQBIMSRZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F/c1-19(2)17-8-7-14(20)9-13(17)10-16-15-6-4-3-5-12(15)11-18(16)19/h3-11H,1-2H3.
What are the key properties of 7-fluoro-10,10-dimethylbenzo[b]fluorene?
7-fluoro-10,10-dimethylbenzo[b]fluorene has a molecular weight of 262.33 g/mol, XLogP of 5.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-10,10-dimethylbenzo[b]fluorene is sourced from PubChem (CID 132546502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).