[4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride

C10H11ClF3OP — CID 143164722

IUPAC[4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride
SMILESCCc1ccc(P)c(C(F)(F)F)c1.O=CCl
InChIInChI=1S/C9H10F3P.CHClO/c1-2-6-3-4-8(13)7(5-6)9(10,11)12;2-1-3/h3-5H,2,13H2,1H3;1H
InChIKeyRUOVEXPLULHQGU-UHFFFAOYSA-N
MW270.62 g/mol
LogP3.18
Rot. Bonds1

About [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride

[4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride (PubChem CID 143164722) has the molecular formula C10H11ClF3OP and a molecular weight of 270.62 g/mol. Its IUPAC name is [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride.

Molecular Properties

Compound Name[4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride
PubChem CID143164722
Molecular FormulaC10H11ClF3OP
Molecular Weight270.62 g/mol
Exact Mass270.02
IUPAC Name[4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride
SMILESCCc1ccc(P)c(C(F)(F)F)c1.O=CCl
InChIInChI=1S/C9H10F3P.CHClO/c1-2-6-3-4-8(13)7(5-6)9(10,11)12;2-1-3/h3-5H,2,13H2,1H3;1H
InChIKeyRUOVEXPLULHQGU-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.62
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride?
The IUPAC name of [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride (CID 143164722) is [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride.
What is the SMILES notation for [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride?
The canonical SMILES for [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride is CCc1ccc(P)c(C(F)(F)F)c1.O=CCl.
What is the InChIKey of [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride?
The InChIKey is RUOVEXPLULHQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3P.CHClO/c1-2-6-3-4-8(13)7(5-6)9(10,11)12;2-1-3/h3-5H,2,13H2,1H3;1H.
What are the key properties of [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride?
[4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride has a molecular weight of 270.62 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-2-(trifluoromethyl)phenyl]phosphane;formyl chloride is sourced from PubChem (CID 143164722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).