1-fluoro-3-phenylbenzene;phosphane;hydrochloride

C12H13ClFP — CID 175120364

IUPAC1-fluoro-3-phenylbenzene;phosphane;hydrochloride
SMILESCl.Fc1cccc(-c2ccccc2)c1.P
InChIInChI=1S/C12H9F.ClH.H3P/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h1-9H;1H;1H3
InChIKeyFOIATTIFJPBOKP-UHFFFAOYSA-N
MW242.66 g/mol
LogP3.97
Rot. Bonds1

About 1-fluoro-3-phenylbenzene;phosphane;hydrochloride

1-fluoro-3-phenylbenzene;phosphane;hydrochloride (PubChem CID 175120364) has the molecular formula C12H13ClFP and a molecular weight of 242.66 g/mol. Its IUPAC name is 1-fluoro-3-phenylbenzene;phosphane;hydrochloride.

Molecular Properties

Compound Name1-fluoro-3-phenylbenzene;phosphane;hydrochloride
PubChem CID175120364
Molecular FormulaC12H13ClFP
Molecular Weight242.66 g/mol
Exact Mass242.04
IUPAC Name1-fluoro-3-phenylbenzene;phosphane;hydrochloride
SMILESCl.Fc1cccc(-c2ccccc2)c1.P
InChIInChI=1S/C12H9F.ClH.H3P/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h1-9H;1H;1H3
InChIKeyFOIATTIFJPBOKP-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 53.97
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 1-fluoro-3-phenylbenzene;phosphane;hydrochloride?
The IUPAC name of 1-fluoro-3-phenylbenzene;phosphane;hydrochloride (CID 175120364) is 1-fluoro-3-phenylbenzene;phosphane;hydrochloride.
What is the SMILES notation for 1-fluoro-3-phenylbenzene;phosphane;hydrochloride?
The canonical SMILES for 1-fluoro-3-phenylbenzene;phosphane;hydrochloride is Cl.Fc1cccc(-c2ccccc2)c1.P.
What is the InChIKey of 1-fluoro-3-phenylbenzene;phosphane;hydrochloride?
The InChIKey is FOIATTIFJPBOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F.ClH.H3P/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;;/h1-9H;1H;1H3.
What are the key properties of 1-fluoro-3-phenylbenzene;phosphane;hydrochloride?
1-fluoro-3-phenylbenzene;phosphane;hydrochloride has a molecular weight of 242.66 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-phenylbenzene;phosphane;hydrochloride is sourced from PubChem (CID 175120364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).