(2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane

C20H9F10P — CID 90108633

IUPAC(2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCc1cccc(P(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c1C
InChIInChI=1S/C20H9F10P/c1-6-4-3-5-8(7(6)2)31(19-15(27)11(23)9(21)12(24)16(19)28)20-17(29)13(25)10(22)14(26)18(20)30/h3-5H,1-2H3
InChIKeyAEBJKYRSFOAEMR-UHFFFAOYSA-N
MW470.25 g/mol
LogP5.45
Rot. Bonds3

About (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane

(2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane (PubChem CID 90108633) has the molecular formula C20H9F10P and a molecular weight of 470.25 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane
PubChem CID90108633
Molecular FormulaC20H9F10P
Molecular Weight470.25 g/mol
Exact Mass470.03
IUPAC Name(2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane
SMILESCc1cccc(P(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c1C
InChIInChI=1S/C20H9F10P/c1-6-4-3-5-8(7(6)2)31(19-15(27)11(23)9(21)12(24)16(19)28)20-17(29)13(25)10(22)14(26)18(20)30/h3-5H,1-2H3
InChIKeyAEBJKYRSFOAEMR-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.25
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[2-bis(2,3-dimethylphenyl)phosphanylphenyl]-bis(2,3-dimethylphenyl)phosphane
CID 90108584
(2,3-dimethylphenyl)-bis[4-(trifluoromethyl)phenyl]phosphane
CID 151512986
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
ethane;1,2,3-trimethylbenzene
CID 54068667
benzene;1,2,3-trimethylbenzene
CID 159605245
bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane
CID 90108140
benzyl-bis(2,3-dimethylphenyl)phosphane
CID 118892814
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
bis(palladium);bis(tris(2-methylphenyl)phosphane)
CID 175817621
1-fluoro-2,3-dimethylbenzene;formonitrile
CID 144500110
(2,3-dimethylphenyl)-dipentylphosphane
CID 90112101

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The IUPAC name of (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane (CID 90108633) is (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane.
What is the SMILES notation for (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The canonical SMILES for (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane is Cc1cccc(P(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
The InChIKey is AEBJKYRSFOAEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H9F10P/c1-6-4-3-5-8(7(6)2)31(19-15(27)11(23)9(21)12(24)16(19)28)20-17(29)13(25)10(22)14(26)18(20)30/h3-5H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane?
(2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane has a molecular weight of 470.25 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-bis(2,3,4,5,6-pentafluorophenyl)phosphane is sourced from PubChem (CID 90108633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).