[1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane

C11H17F7NOP — CID 134276384

IUPAC[1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane
SMILESFC(F)C(F)(F)C(F)(P)C(F)(F)COCCN1CCCC1
InChIInChI=1S/C11H17F7NOP/c12-8(13)10(16,17)11(18,21)9(14,15)7-20-6-5-19-3-1-2-4-19/h8H,1-7,21H2
InChIKeyMDTWJTVLXOVQGJ-UHFFFAOYSA-N
MW343.22 g/mol
LogP3.18
Rot. Bonds8

About [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane

[1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane (PubChem CID 134276384) has the molecular formula C11H17F7NOP and a molecular weight of 343.22 g/mol. Its IUPAC name is [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane.

Molecular Properties

Compound Name[1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane
PubChem CID134276384
Molecular FormulaC11H17F7NOP
Molecular Weight343.22 g/mol
Exact Mass343.09
IUPAC Name[1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane
SMILESFC(F)C(F)(F)C(F)(P)C(F)(F)COCCN1CCCC1
InChIInChI=1S/C11H17F7NOP/c12-8(13)10(16,17)11(18,21)9(14,15)7-20-6-5-19-3-1-2-4-19/h8H,1-7,21H2
InChIKeyMDTWJTVLXOVQGJ-UHFFFAOYSA-N
XLogP3.18
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,2,3,3,4,4,5,5-Octafluoropentoxy)ethyl]pyrrolidine
CID 134263884
1-Methyl-1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidin-1-ium;iodide
CID 138687385
1-Methyl-1-[2-(2,2,3,3,4,4,5,5-octafluoropentoxy)ethyl]pyrrolidin-1-ium
CID 138687386
1-[2-(2,2,4,4,5,5-Hexafluoropentoxy)ethyl]-1-methylpyrrolidin-1-ium
CID 159621230

Frequently Asked Questions

What is the IUPAC name of [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane?
The IUPAC name of [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane (CID 134276384) is [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane.
What is the SMILES notation for [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane?
The canonical SMILES for [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane is FC(F)C(F)(F)C(F)(P)C(F)(F)COCCN1CCCC1.
What is the InChIKey of [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane?
The InChIKey is MDTWJTVLXOVQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F7NOP/c12-8(13)10(16,17)11(18,21)9(14,15)7-20-6-5-19-3-1-2-4-19/h8H,1-7,21H2.
What are the key properties of [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane?
[1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane has a molecular weight of 343.22 g/mol, XLogP of 3.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,2,3,4,4-heptafluoro-5-(2-pyrrolidin-1-ylethoxy)pentan-3-yl]phosphane is sourced from PubChem (CID 134276384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).