5-chloro-3-fluoro-1H-phenalene

C13H8ClF — CID 174398927

IUPAC5-chloro-3-fluoro-1H-phenalene
SMILESFC1=CCc2cccc3cc(Cl)cc1c23
InChIInChI=1S/C13H8ClF/c14-10-6-9-3-1-2-8-4-5-12(15)11(7-10)13(8)9/h1-3,5-7H,4H2
InChIKeyLNJWURFCPOSJHH-UHFFFAOYSA-N
MW218.66 g/mol
LogP4.36
Rot. Bonds

About 5-chloro-3-fluoro-1H-phenalene

5-chloro-3-fluoro-1H-phenalene (PubChem CID 174398927) has the molecular formula C13H8ClF and a molecular weight of 218.66 g/mol. Its IUPAC name is 5-chloro-3-fluoro-1H-phenalene.

Molecular Properties

Compound Name5-chloro-3-fluoro-1H-phenalene
PubChem CID174398927
Molecular FormulaC13H8ClF
Molecular Weight218.66 g/mol
Exact Mass218.03
IUPAC Name5-chloro-3-fluoro-1H-phenalene
SMILESFC1=CCc2cccc3cc(Cl)cc1c23
InChIInChI=1S/C13H8ClF/c14-10-6-9-3-1-2-8-4-5-12(15)11(7-10)13(8)9/h1-3,5-7H,4H2
InChIKeyLNJWURFCPOSJHH-UHFFFAOYSA-N
XLogP4.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-fluoro-1H-phenalene?
The IUPAC name of 5-chloro-3-fluoro-1H-phenalene (CID 174398927) is 5-chloro-3-fluoro-1H-phenalene.
What is the SMILES notation for 5-chloro-3-fluoro-1H-phenalene?
The canonical SMILES for 5-chloro-3-fluoro-1H-phenalene is FC1=CCc2cccc3cc(Cl)cc1c23.
What is the InChIKey of 5-chloro-3-fluoro-1H-phenalene?
The InChIKey is LNJWURFCPOSJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF/c14-10-6-9-3-1-2-8-4-5-12(15)11(7-10)13(8)9/h1-3,5-7H,4H2.
What are the key properties of 5-chloro-3-fluoro-1H-phenalene?
5-chloro-3-fluoro-1H-phenalene has a molecular weight of 218.66 g/mol, XLogP of 4.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-fluoro-1H-phenalene is sourced from PubChem (CID 174398927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).