[2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane

C16H11F8P — CID 144766001

IUPAC[2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane
SMILESCc1c(F)c(P)c(F)c(F)c1C(C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H11F8P/c1-4-5(8(18)14(24)15(25)7(4)17)16(2,3)6-9(19)11(21)13(23)12(22)10(6)20/h25H2,1-3H3
InChIKeyJADSTCAXZKCTKD-UHFFFAOYSA-N
MW386.22 g/mol
LogP4.93
Rot. Bonds2

About [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane

[2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane (PubChem CID 144766001) has the molecular formula C16H11F8P and a molecular weight of 386.22 g/mol. Its IUPAC name is [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane.

Molecular Properties

Compound Name[2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane
PubChem CID144766001
Molecular FormulaC16H11F8P
Molecular Weight386.22 g/mol
Exact Mass386.05
IUPAC Name[2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane
SMILESCc1c(F)c(P)c(F)c(F)c1C(C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H11F8P/c1-4-5(8(18)14(24)15(25)7(4)17)16(2,3)6-9(19)11(21)13(23)12(22)10(6)20/h25H2,1-3H3
InChIKeyJADSTCAXZKCTKD-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.22
LogP ≤ 54.93
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

(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane
CID 130441398
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetrafluorophenyl)-3,4,5-trifluoro-6-methylbenzene
CID 158547115
2,3,4,6-tetrafluoro-5-phosphanylphenol
CID 130350697
1-[2-(3,4-dimethylphenyl)propan-2-yl]-2,3,6-trifluoro-5-methyl-4-(trifluoromethyl)benzene
CID 175404262
3,4,6-trifluoro-5-[2-(2,3,6-trifluoro-4,5-diformylphenyl)propan-2-yl]phthalaldehyde
CID 151521868
1,2,4-trifluoro-3,5-dimethyl-6-(trifluoromethyl)benzene
CID 146848679
1-tert-butyl-2,3,5,6-tetrafluoro-4-(3-methylpentan-3-yl)benzene
CID 88879117
1-(1,1-dichloroethyl)-2,3,4,5,6-pentafluorobenzene
CID 23272706
CID 89201913
CID 89201913
1,2,4,5-tetrafluoro-3,6-bis(3-methylhexan-3-yl)benzene
CID 89419945
1-[difluoro(methoxy)methyl]-2,3,5,6-tetrafluoro-4-methylbenzene
CID 58718950
2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine
CID 143571830

Frequently Asked Questions

What is the IUPAC name of [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane?
The IUPAC name of [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane (CID 144766001) is [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane.
What is the SMILES notation for [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane?
The canonical SMILES for [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane is Cc1c(F)c(P)c(F)c(F)c1C(C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane?
The InChIKey is JADSTCAXZKCTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F8P/c1-4-5(8(18)14(24)15(25)7(4)17)16(2,3)6-9(19)11(21)13(23)12(22)10(6)20/h25H2,1-3H3.
What are the key properties of [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane?
[2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane has a molecular weight of 386.22 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,6-trifluoro-5-methyl-4-[2-(2,3,4,5,6-pentafluorophenyl)propan-2-yl]phenyl]phosphane is sourced from PubChem (CID 144766001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).