bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane

C18H14F2NP — CID 87213208

IUPACbis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane
SMILESCc1cccc(P(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F2NP/c1-13-3-2-4-18(21-13)22(16-9-5-14(19)6-10-16)17-11-7-15(20)8-12-17/h2-12H,1H3
InChIKeyBVENFNWWQZQSAQ-UHFFFAOYSA-N
MW313.29 g/mol
LogP3.43
Rot. Bonds3

About bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane

bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane (PubChem CID 87213208) has the molecular formula C18H14F2NP and a molecular weight of 313.29 g/mol. Its IUPAC name is bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane.

Molecular Properties

Compound Namebis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane
PubChem CID87213208
Molecular FormulaC18H14F2NP
Molecular Weight313.29 g/mol
Exact Mass313.08
IUPAC Namebis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane
SMILESCc1cccc(P(c2ccc(F)cc2)c2ccc(F)cc2)n1
InChIInChI=1S/C18H14F2NP/c1-13-3-2-4-18(21-13)22(16-9-5-14(19)6-10-16)17-11-7-15(20)8-12-17/h2-12H,1H3
InChIKeyBVENFNWWQZQSAQ-UHFFFAOYSA-N
XLogP3.43
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane?
The IUPAC name of bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane (CID 87213208) is bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane.
What is the SMILES notation for bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane?
The canonical SMILES for bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane is Cc1cccc(P(c2ccc(F)cc2)c2ccc(F)cc2)n1.
What is the InChIKey of bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane?
The InChIKey is BVENFNWWQZQSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2NP/c1-13-3-2-4-18(21-13)22(16-9-5-14(19)6-10-16)17-11-7-15(20)8-12-17/h2-12H,1H3.
What are the key properties of bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane?
bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane has a molecular weight of 313.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluorophenyl)-(6-methyl-2-pyridinyl)phosphane is sourced from PubChem (CID 87213208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).