(6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane

C20H14F6NP — CID 87213322

IUPAC(6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESCc1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H14F6NP/c1-13-3-2-4-18(27-13)28(16-9-5-14(6-10-16)19(21,22)23)17-11-7-15(8-12-17)20(24,25)26/h2-12H,1H3
InChIKeyPWQQUGHJRPSVPZ-UHFFFAOYSA-N
MW413.30 g/mol
LogP5.19
Rot. Bonds3

About (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane

(6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 87213322) has the molecular formula C20H14F6NP and a molecular weight of 413.30 g/mol. Its IUPAC name is (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name(6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane
PubChem CID87213322
Molecular FormulaC20H14F6NP
Molecular Weight413.30 g/mol
Exact Mass413.08
IUPAC Name(6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESCc1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C20H14F6NP/c1-13-3-2-4-18(27-13)28(16-9-5-14(6-10-16)19(21,22)23)17-11-7-15(8-12-17)20(24,25)26/h2-12H,1H3
InChIKeyPWQQUGHJRPSVPZ-UHFFFAOYSA-N
XLogP5.19
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.30
LogP ≤ 55.19
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 (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane (CID 87213322) is (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane is Cc1cccc(P(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is PWQQUGHJRPSVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6NP/c1-13-3-2-4-18(27-13)28(16-9-5-14(6-10-16)19(21,22)23)17-11-7-15(8-12-17)20(24,25)26/h2-12H,1H3.
What are the key properties of (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane?
(6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 413.30 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2-pyridinyl)-bis[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 87213322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).