(2,3,4-trifluorophenyl)methylphosphane

C7H6F3P — CID 21095838

IUPAC(2,3,4-trifluorophenyl)methylphosphane
SMILESFc1ccc(CP)c(F)c1F
InChIInChI=1S/C7H6F3P/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2
InChIKeyYZQJTRHKKRETFD-UHFFFAOYSA-N
MW178.09 g/mol
LogP2.48
Rot. Bonds1

About (2,3,4-trifluorophenyl)methylphosphane

(2,3,4-trifluorophenyl)methylphosphane (PubChem CID 21095838) has the molecular formula C7H6F3P and a molecular weight of 178.09 g/mol. Its IUPAC name is (2,3,4-trifluorophenyl)methylphosphane.

Molecular Properties

Compound Name(2,3,4-trifluorophenyl)methylphosphane
PubChem CID21095838
Molecular FormulaC7H6F3P
Molecular Weight178.09 g/mol
Exact Mass178.02
IUPAC Name(2,3,4-trifluorophenyl)methylphosphane
SMILESFc1ccc(CP)c(F)c1F
InChIInChI=1S/C7H6F3P/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2
InChIKeyYZQJTRHKKRETFD-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.09
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluorophenyl)methylphosphane?
The IUPAC name of (2,3,4-trifluorophenyl)methylphosphane (CID 21095838) is (2,3,4-trifluorophenyl)methylphosphane.
What is the SMILES notation for (2,3,4-trifluorophenyl)methylphosphane?
The canonical SMILES for (2,3,4-trifluorophenyl)methylphosphane is Fc1ccc(CP)c(F)c1F.
What is the InChIKey of (2,3,4-trifluorophenyl)methylphosphane?
The InChIKey is YZQJTRHKKRETFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3P/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H,3,11H2.
What are the key properties of (2,3,4-trifluorophenyl)methylphosphane?
(2,3,4-trifluorophenyl)methylphosphane has a molecular weight of 178.09 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluorophenyl)methylphosphane is sourced from PubChem (CID 21095838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).