[4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate

C10H13F8O3P — CID 154933847

IUPAC[4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate
SMILESO=COCCCC(F)(P)C(F)(F)OCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F8O3P/c11-7(12,9(14,15)16)3-5-21-10(17,18)8(13,22)2-1-4-20-6-19/h6H,1-5,22H2
InChIKeyKOCJITJOCOGPKX-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.68
Rot. Bonds10

About [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate

[4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate (PubChem CID 154933847) has the molecular formula C10H13F8O3P and a molecular weight of 364.17 g/mol. Its IUPAC name is [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate.

Molecular Properties

Compound Name[4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate
PubChem CID154933847
Molecular FormulaC10H13F8O3P
Molecular Weight364.17 g/mol
Exact Mass364.05
IUPAC Name[4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate
SMILESO=COCCCC(F)(P)C(F)(F)OCCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F8O3P/c11-7(12,9(14,15)16)3-5-21-10(17,18)8(13,22)2-1-4-20-6-19/h6H,1-5,22H2
InChIKeyKOCJITJOCOGPKX-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate?
The IUPAC name of [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate (CID 154933847) is [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate.
What is the SMILES notation for [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate?
The canonical SMILES for [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate is O=COCCCC(F)(P)C(F)(F)OCCC(F)(F)C(F)(F)F.
What is the InChIKey of [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate?
The InChIKey is KOCJITJOCOGPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F8O3P/c11-7(12,9(14,15)16)3-5-21-10(17,18)8(13,22)2-1-4-20-6-19/h6H,1-5,22H2.
What are the key properties of [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate?
[4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate has a molecular weight of 364.17 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5,5-trifluoro-5-(3,3,4,4,4-pentafluorobutoxy)-4-phosphanylpentyl] formate is sourced from PubChem (CID 154933847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).