[3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane

C9H10ClF3NO2P — CID 166668632

IUPAC[3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane
SMILESCOc1cnc(OCC(F)(F)C(F)P)c(Cl)c1
InChIInChI=1S/C9H10ClF3NO2P/c1-15-5-2-6(10)7(14-3-5)16-4-9(12,13)8(11)17/h2-3,8H,4,17H2,1H3
InChIKeyOQELGIPDMQSQTG-UHFFFAOYSA-N
MW287.61 g/mol
LogP2.93
Rot. Bonds5

About [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane

[3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane (PubChem CID 166668632) has the molecular formula C9H10ClF3NO2P and a molecular weight of 287.61 g/mol. Its IUPAC name is [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane.

Molecular Properties

Compound Name[3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane
PubChem CID166668632
Molecular FormulaC9H10ClF3NO2P
Molecular Weight287.61 g/mol
Exact Mass287.01
IUPAC Name[3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane
SMILESCOc1cnc(OCC(F)(F)C(F)P)c(Cl)c1
InChIInChI=1S/C9H10ClF3NO2P/c1-15-5-2-6(10)7(14-3-5)16-4-9(12,13)8(11)17/h2-3,8H,4,17H2,1H3
InChIKeyOQELGIPDMQSQTG-UHFFFAOYSA-N
XLogP2.93
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.61
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane?
The IUPAC name of [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane (CID 166668632) is [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane.
What is the SMILES notation for [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane?
The canonical SMILES for [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane is COc1cnc(OCC(F)(F)C(F)P)c(Cl)c1.
What is the InChIKey of [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane?
The InChIKey is OQELGIPDMQSQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF3NO2P/c1-15-5-2-6(10)7(14-3-5)16-4-9(12,13)8(11)17/h2-3,8H,4,17H2,1H3.
What are the key properties of [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane?
[3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane has a molecular weight of 287.61 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-chloro-5-methoxy-2-pyridinyl)oxy]-1,2,2-trifluoropropyl]phosphane is sourced from PubChem (CID 166668632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).