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

C18H4ClF18P — CID 123992765

IUPACchloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(Cl)c2ccc(C(F)(F)F)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C18H4ClF18P/c19-38(7-3-1-5(13(20,21)22)9(15(26,27)28)11(7)17(32,33)34)8-4-2-6(14(23,24)25)10(16(29,30)31)12(8)18(35,36)37/h1-4H
InChIKeyAFSSLGVWLFFIKS-UHFFFAOYSA-N
MW628.62 g/mol
LogP9.39
Rot. Bonds2

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

chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane (PubChem CID 123992765) has the molecular formula C18H4ClF18P and a molecular weight of 628.62 g/mol. Its IUPAC name is chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Namechloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane
PubChem CID123992765
Molecular FormulaC18H4ClF18P
Molecular Weight628.62 g/mol
Exact Mass627.95
IUPAC Namechloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane
SMILESFC(F)(F)c1ccc(P(Cl)c2ccc(C(F)(F)F)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C18H4ClF18P/c19-38(7-3-1-5(13(20,21)22)9(15(26,27)28)11(7)17(32,33)34)8-4-2-6(14(23,24)25)10(16(29,30)31)12(8)18(35,36)37/h1-4H
InChIKeyAFSSLGVWLFFIKS-UHFFFAOYSA-N
XLogP9.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.62
LogP ≤ 59.39
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 chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane?
The IUPAC name of chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane (CID 123992765) is chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane is FC(F)(F)c1ccc(P(Cl)c2ccc(C(F)(F)F)c(C(F)(F)F)c2C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane?
The InChIKey is AFSSLGVWLFFIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H4ClF18P/c19-38(7-3-1-5(13(20,21)22)9(15(26,27)28)11(7)17(32,33)34)8-4-2-6(14(23,24)25)10(16(29,30)31)12(8)18(35,36)37/h1-4H.
What are the key properties of chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane?
chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane has a molecular weight of 628.62 g/mol, XLogP of 9.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis[2,3,4-tris(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 123992765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).