2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine

C13H12FP — CID 134228919

IUPAC2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine
SMILESFP1C=C2Cc3ccccc3C2=CCC1
InChIInChI=1S/C13H12FP/c14-15-7-3-6-13-11(9-15)8-10-4-1-2-5-12(10)13/h1-2,4-6,9H,3,7-8H2
InChIKeyOLEICWDNYONLRG-UHFFFAOYSA-N
MW218.21 g/mol
LogP4.28
Rot. Bonds

About 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine

2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine (PubChem CID 134228919) has the molecular formula C13H12FP and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine.

Molecular Properties

Compound Name2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine
PubChem CID134228919
Molecular FormulaC13H12FP
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine
SMILESFP1C=C2Cc3ccccc3C2=CCC1
InChIInChI=1S/C13H12FP/c14-15-7-3-6-13-11(9-15)8-10-4-1-2-5-12(10)13/h1-2,4-6,9H,3,7-8H2
InChIKeyOLEICWDNYONLRG-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine?
The IUPAC name of 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine (CID 134228919) is 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine.
What is the SMILES notation for 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine?
The canonical SMILES for 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine is FP1C=C2Cc3ccccc3C2=CCC1.
What is the InChIKey of 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine?
The InChIKey is OLEICWDNYONLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FP/c14-15-7-3-6-13-11(9-15)8-10-4-1-2-5-12(10)13/h1-2,4-6,9H,3,7-8H2.
What are the key properties of 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine?
2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine has a molecular weight of 218.21 g/mol, XLogP of 4.28, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,10-dihydro-3H-indeno[2,1-c]phosphepine is sourced from PubChem (CID 134228919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).