bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane

C29H18F12P2 — CID 90169485

IUPACbis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C29H18F12P2/c30-26(31,32)18-1-9-22(10-2-18)42(23-11-3-19(4-12-23)27(33,34)35)17-43(24-13-5-20(6-14-24)28(36,37)38)25-15-7-21(8-16-25)29(39,40)41/h1-16H,17H2
InChIKeyHGKSWHXOBXMKEU-UHFFFAOYSA-N
MW656.39 g/mol
LogP9.28
Rot. Bonds6

About bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane

bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane (PubChem CID 90169485) has the molecular formula C29H18F12P2 and a molecular weight of 656.39 g/mol. Its IUPAC name is bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Namebis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane
PubChem CID90169485
Molecular FormulaC29H18F12P2
Molecular Weight656.39 g/mol
Exact Mass656.07
IUPAC Namebis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C29H18F12P2/c30-26(31,32)18-1-9-22(10-2-18)42(23-11-3-19(4-12-23)27(33,34)35)17-43(24-13-5-20(6-14-24)28(36,37)38)25-15-7-21(8-16-25)29(39,40)41/h1-16H,17H2
InChIKeyHGKSWHXOBXMKEU-UHFFFAOYSA-N
XLogP9.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.39
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane (CID 90169485) is bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1ccc(P(CP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane?
The InChIKey is HGKSWHXOBXMKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18F12P2/c30-26(31,32)18-1-9-22(10-2-18)42(23-11-3-19(4-12-23)27(33,34)35)17-43(24-13-5-20(6-14-24)28(36,37)38)25-15-7-21(8-16-25)29(39,40)41/h1-16H,17H2.
What are the key properties of bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane?
bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane has a molecular weight of 656.39 g/mol, XLogP of 9.28, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(trifluoromethyl)phenyl]phosphanylmethyl-bis[4-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 90169485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).