(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane

C8H8F3P — CID 130441398

IUPAC(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane
SMILESCc1c(F)c(F)c(C)c(P)c1F
InChIInChI=1S/C8H8F3P/c1-3-5(9)6(10)4(2)8(12)7(3)11/h12H2,1-2H3
InChIKeyFARDDYDSMZQVDI-UHFFFAOYSA-N
MW192.12 g/mol
LogP2.22
Rot. Bonds

About (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane

(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane (PubChem CID 130441398) has the molecular formula C8H8F3P and a molecular weight of 192.12 g/mol. Its IUPAC name is (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane.

Molecular Properties

Compound Name(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane
PubChem CID130441398
Molecular FormulaC8H8F3P
Molecular Weight192.12 g/mol
Exact Mass192.03
IUPAC Name(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane
SMILESCc1c(F)c(F)c(C)c(P)c1F
InChIInChI=1S/C8H8F3P/c1-3-5(9)6(10)4(2)8(12)7(3)11/h12H2,1-2H3
InChIKeyFARDDYDSMZQVDI-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane?
The IUPAC name of (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane (CID 130441398) is (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane.
What is the SMILES notation for (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane?
The canonical SMILES for (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane is Cc1c(F)c(F)c(C)c(P)c1F.
What is the InChIKey of (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane?
The InChIKey is FARDDYDSMZQVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3P/c1-3-5(9)6(10)4(2)8(12)7(3)11/h12H2,1-2H3.
What are the key properties of (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane?
(2,4,5-trifluoro-3,6-dimethylphenyl)phosphane has a molecular weight of 192.12 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trifluoro-3,6-dimethylphenyl)phosphane is sourced from PubChem (CID 130441398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).