chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane

C13H11ClFP — CID 175598108

IUPACchloro-(4-fluorophenyl)-(4-methylphenyl)phosphane
SMILESCc1ccc(P(Cl)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H11ClFP/c1-10-2-6-12(7-3-10)16(14)13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKeyQQBBRRDCFTVYSN-UHFFFAOYSA-N
MW252.66 g/mol
LogP3.72
Rot. Bonds2

About chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane

chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane (PubChem CID 175598108) has the molecular formula C13H11ClFP and a molecular weight of 252.66 g/mol. Its IUPAC name is chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane.

Molecular Properties

Compound Namechloro-(4-fluorophenyl)-(4-methylphenyl)phosphane
PubChem CID175598108
Molecular FormulaC13H11ClFP
Molecular Weight252.66 g/mol
Exact Mass252.03
IUPAC Namechloro-(4-fluorophenyl)-(4-methylphenyl)phosphane
SMILESCc1ccc(P(Cl)c2ccc(F)cc2)cc1
InChIInChI=1S/C13H11ClFP/c1-10-2-6-12(7-3-10)16(14)13-8-4-11(15)5-9-13/h2-9H,1H3
InChIKeyQQBBRRDCFTVYSN-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 53.72
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 chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane?
The IUPAC name of chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane (CID 175598108) is chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane.
What is the SMILES notation for chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane?
The canonical SMILES for chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane is Cc1ccc(P(Cl)c2ccc(F)cc2)cc1.
What is the InChIKey of chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane?
The InChIKey is QQBBRRDCFTVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClFP/c1-10-2-6-12(7-3-10)16(14)13-8-4-11(15)5-9-13/h2-9H,1H3.
What are the key properties of chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane?
chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane has a molecular weight of 252.66 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(4-fluorophenyl)-(4-methylphenyl)phosphane is sourced from PubChem (CID 175598108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).