1H-phenalene;hydrofluoride

C13H11F — CID 174317076

IUPAC1H-phenalene;hydrofluoride
SMILESC1=Cc2cccc3cccc(c23)C1.F
InChIInChI=1S/C13H10.FH/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;/h1-8H,9H2;1H
InChIKeyNNLABCWUKYOBGL-UHFFFAOYSA-N
MW186.23 g/mol
LogP3.56
Rot. Bonds

About 1H-phenalene;hydrofluoride

1H-phenalene;hydrofluoride (PubChem CID 174317076) has the molecular formula C13H11F and a molecular weight of 186.23 g/mol. Its IUPAC name is 1H-phenalene;hydrofluoride.

Molecular Properties

Compound Name1H-phenalene;hydrofluoride
PubChem CID174317076
Molecular FormulaC13H11F
Molecular Weight186.23 g/mol
Exact Mass186.08
IUPAC Name1H-phenalene;hydrofluoride
SMILESC1=Cc2cccc3cccc(c23)C1.F
InChIInChI=1S/C13H10.FH/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;/h1-8H,9H2;1H
InChIKeyNNLABCWUKYOBGL-UHFFFAOYSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-phenalene;hydrofluoride?
The IUPAC name of 1H-phenalene;hydrofluoride (CID 174317076) is 1H-phenalene;hydrofluoride.
What is the SMILES notation for 1H-phenalene;hydrofluoride?
The canonical SMILES for 1H-phenalene;hydrofluoride is C1=Cc2cccc3cccc(c23)C1.F.
What is the InChIKey of 1H-phenalene;hydrofluoride?
The InChIKey is NNLABCWUKYOBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.FH/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12;/h1-8H,9H2;1H.
What are the key properties of 1H-phenalene;hydrofluoride?
1H-phenalene;hydrofluoride has a molecular weight of 186.23 g/mol, XLogP of 3.56, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-phenalene;hydrofluoride is sourced from PubChem (CID 174317076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).