1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol

C15H21F9O3 — CID 21195216

IUPAC1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol
SMILESC=CCCCCCCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C15H21F9O3/c1-2-3-4-5-6-7-8-11(25)9-26-10-12(16,17)14(21,22)27-15(23,24)13(18,19)20/h2,11,25H,1,3-10H2
InChIKeyZNFQFGGOJPXPAL-UHFFFAOYSA-N
MW420.31 g/mol
LogP5.29
Rot. Bonds14

About 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol

1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol (PubChem CID 21195216) has the molecular formula C15H21F9O3 and a molecular weight of 420.31 g/mol. Its IUPAC name is 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol.

Molecular Properties

Compound Name1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol
PubChem CID21195216
Molecular FormulaC15H21F9O3
Molecular Weight420.31 g/mol
Exact Mass420.13
IUPAC Name1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol
SMILESC=CCCCCCCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
InChIInChI=1S/C15H21F9O3/c1-2-3-4-5-6-7-8-11(25)9-26-10-12(16,17)14(21,22)27-15(23,24)13(18,19)20/h2,11,25H,1,3-10H2
InChIKeyZNFQFGGOJPXPAL-UHFFFAOYSA-N
XLogP5.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.31
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol?
The IUPAC name of 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol (CID 21195216) is 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol.
What is the SMILES notation for 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol?
The canonical SMILES for 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol is C=CCCCCCCC(O)COCC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.
What is the InChIKey of 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol?
The InChIKey is ZNFQFGGOJPXPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F9O3/c1-2-3-4-5-6-7-8-11(25)9-26-10-12(16,17)14(21,22)27-15(23,24)13(18,19)20/h2,11,25H,1,3-10H2.
What are the key properties of 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol?
1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol has a molecular weight of 420.31 g/mol, XLogP of 5.29, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2,3,3-tetrafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propoxy]dec-9-en-2-ol is sourced from PubChem (CID 21195216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).