[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane

C22H11F12P — CID 140656274

IUPAC[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane
SMILESFC(F)(F)c1cc(-c2ccc(P)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H11F12P/c23-19(24,25)13-3-11(4-14(8-13)20(26,27)28)10-1-2-18(35)17(7-10)12-5-15(21(29,30)31)9-16(6-12)22(32,33)34/h1-9H,35H2
InChIKeyKRIYJMSUNTVWKY-UHFFFAOYSA-N
MW534.28 g/mol
LogP8.60
Rot. Bonds2

About [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane

[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane (PubChem CID 140656274) has the molecular formula C22H11F12P and a molecular weight of 534.28 g/mol. Its IUPAC name is [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane
PubChem CID140656274
Molecular FormulaC22H11F12P
Molecular Weight534.28 g/mol
Exact Mass534.04
IUPAC Name[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane
SMILESFC(F)(F)c1cc(-c2ccc(P)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C22H11F12P/c23-19(24,25)13-3-11(4-14(8-13)20(26,27)28)10-1-2-18(35)17(7-10)12-5-15(21(29,30)31)9-16(6-12)22(32,33)34/h1-9H,35H2
InChIKeyKRIYJMSUNTVWKY-UHFFFAOYSA-N
XLogP8.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.28
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-3,5-bis(trifluoromethyl)benzene
CID 163216983
2-[3,5-bis(trifluoromethyl)phenyl]-6-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]naphthalene
CID 169293746
3,6-bis[3,5-bis(trifluoromethyl)phenyl]-9H-carbazole
CID 175519372
1-[3-methyl-4-(trifluoromethyl)phenyl]-3,5-bis(trifluoromethyl)benzene
CID 169072324
[2-[3-(trifluoromethyl)phenyl]phenyl]phosphane
CID 175247620
2-[3,5-bis(trifluoromethyl)phenyl]-7-(4-naphthalen-2-ylphenyl)naphthalene
CID 169294050
1,3-bis[3,5-bis(trifluoromethyl)phenyl]-2-methylbenzene
CID 163637967
[2-[4-(trifluoromethyl)phenyl]phenyl]phosphane
CID 138671682
4-[3,5-bis(trifluoromethyl)phenyl]benzonitrile
CID 11381476
1,3-bis(4-tert-butylphenyl)-5-(trifluoromethyl)benzene
CID 91806032
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
CID 89357054
2-[3,5-bis(trifluoromethyl)phenyl]-6-(4-naphthalen-1-ylphenyl)naphthalene
CID 169293839

Frequently Asked Questions

What is the IUPAC name of [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane?
The IUPAC name of [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane (CID 140656274) is [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane.
What is the SMILES notation for [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane?
The canonical SMILES for [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane is FC(F)(F)c1cc(-c2ccc(P)c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane?
The InChIKey is KRIYJMSUNTVWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H11F12P/c23-19(24,25)13-3-11(4-14(8-13)20(26,27)28)10-1-2-18(35)17(7-10)12-5-15(21(29,30)31)9-16(6-12)22(32,33)34/h1-9H,35H2.
What are the key properties of [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane?
[2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane has a molecular weight of 534.28 g/mol, XLogP of 8.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis[3,5-bis(trifluoromethyl)phenyl]phenyl]phosphane is sourced from PubChem (CID 140656274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).