[4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane

C23H16F9P — CID 131969997

IUPAC[4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane
SMILESCc1c(C)c(-c2c(F)c(C)c(CP)c(F)c2F)c(F)c(-c2c(C)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C23H16F9P/c1-6-7(2)15(24)13(12-9(4)17(26)22(31)23(32)20(12)29)19(28)11(6)14-16(25)8(3)10(5-33)18(27)21(14)30/h5,33H2,1-4H3
InChIKeyVOOPPNSNDRRWCP-UHFFFAOYSA-N
MW494.34 g/mol
LogP7.88
Rot. Bonds3

About [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane

[4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane (PubChem CID 131969997) has the molecular formula C23H16F9P and a molecular weight of 494.34 g/mol. Its IUPAC name is [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane.

Molecular Properties

Compound Name[4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane
PubChem CID131969997
Molecular FormulaC23H16F9P
Molecular Weight494.34 g/mol
Exact Mass494.08
IUPAC Name[4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane
SMILESCc1c(C)c(-c2c(F)c(C)c(CP)c(F)c2F)c(F)c(-c2c(C)c(F)c(F)c(F)c2F)c1F
InChIInChI=1S/C23H16F9P/c1-6-7(2)15(24)13(12-9(4)17(26)22(31)23(32)20(12)29)19(28)11(6)14-16(25)8(3)10(5-33)18(27)21(14)30/h5,33H2,1-4H3
InChIKeyVOOPPNSNDRRWCP-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.34
LogP ≤ 57.88
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

1,2,3,4,5-Pentafluoro-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 135058776
1,4-Bis[3,5-bis(trifluoromethyl)phenyl]-2,3,5,6-tetramethylbenzene
CID 11318939
1,2,3,4-Tetraethyl-5,6,7,8-tetrafluoronaphthalene
CID 102187103
1,4-bis[(E)-2-(4-fluorophenyl)ethenyl]-2,5-dimethylbenzene
CID 101800883
9,10-Difluoro-1,2,3,4,5,6,7,8-octahydroanthracene
CID 21730676
1,2,3,4,5-Pentafluoro-6-[(2,3,4,5,6-pentafluorophenyl)-(2,3,5,6-tetrafluoro-4-methylphenyl)methyl]benzene
CID 23271920
Bis(4-fluorophenyl)(sulfanylidene)(2,3,5,6-tetramethylphenyl)-lambda~5~-phosphane
CID 13879443
1-[1,1,1,3,3,3-Hexafluoro-2-(2,3,4,5,6-pentamethylphenyl)propan-2-yl]-2,3,4,5,6-pentamethylbenzene
CID 18737363
3,4-Difluoro-1,2-dipentyl-5-(4-phenylphenyl)benzene
CID 19107842
1-Butyl-3,4-difluoro-5-(4-phenylphenyl)-2-propylbenzene
CID 19107847
1-Ethyl-3,4-difluoro-2-octyl-5-(4-phenylphenyl)benzene
CID 19107862
3,4-Difluoro-1-octyl-2-pentyl-5-(4-phenylphenyl)benzene
CID 19107899

Frequently Asked Questions

What is the IUPAC name of [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane?
The IUPAC name of [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane (CID 131969997) is [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane.
What is the SMILES notation for [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane?
The canonical SMILES for [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane is Cc1c(C)c(-c2c(F)c(C)c(CP)c(F)c2F)c(F)c(-c2c(C)c(F)c(F)c(F)c2F)c1F.
What is the InChIKey of [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane?
The InChIKey is VOOPPNSNDRRWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F9P/c1-6-7(2)15(24)13(12-9(4)17(26)22(31)23(32)20(12)29)19(28)11(6)14-16(25)8(3)10(5-33)18(27)21(14)30/h5,33H2,1-4H3.
What are the key properties of [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane?
[4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane has a molecular weight of 494.34 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2,4-difluoro-5,6-dimethyl-3-(2,3,4,5-tetrafluoro-6-methylphenyl)phenyl]-2,3,5-trifluoro-6-methylphenyl]methylphosphane is sourced from PubChem (CID 131969997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).