1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate

C15H25F5O5 — CID 91733774

IUPAC1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCOC(CC)OC(CC)OC(CC)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F5O5/c1-5-9-22-10(6-2)23-11(7-3)24-12(8-4)25-13(21)14(16,17)15(18,19)20/h10-12H,5-9H2,1-4H3
InChIKeyYXSUJVVIDZMQAN-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.40
Rot. Bonds12

About 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate

1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91733774) has the molecular formula C15H25F5O5 and a molecular weight of 380.35 g/mol. Its IUPAC name is 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91733774
Molecular FormulaC15H25F5O5
Molecular Weight380.35 g/mol
Exact Mass380.16
IUPAC Name1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCOC(CC)OC(CC)OC(CC)OC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F5O5/c1-5-9-22-10(6-2)23-11(7-3)24-12(8-4)25-13(21)14(16,17)15(18,19)20/h10-12H,5-9H2,1-4H3
InChIKeyYXSUJVVIDZMQAN-UHFFFAOYSA-N
XLogP4.40
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,3,3,4,4,4-Heptafluorobutoxy)ethyl acetate
CID 131853147
Ethyl 4,4-diethoxy-2,2-difluorobutanoate
CID 71755457
Ethyl 3,3-diethoxy-2,2-difluoropropanoate
CID 138990926
5,5-Dimethyl-1,3-dioxane-2-ethanol, pentafluoropropionate
CID 91692461
Bis(trifluoroacetic acid)ethylidene ester
CID 54473077
1,2-Diethoxyethyl 2-fluoropropanoate
CID 54529340
[1,1,2-Trifluoro-2-(2-fluoroethoxy)-2-(fluoromethoxy)ethyl] propanoate
CID 58692140
(1-Acetyloxy-2,2,3,3,3-pentafluoropropyl) acetate
CID 58963600
Dipropoxymethyl 2,2,2-trifluoroacetate
CID 87157146
Dipropoxymethyl 2,2-difluoroacetate
CID 87157166
Tripropoxymethyl 2,2-difluoroacetate
CID 87157216
Tripropoxymethyl 2,2,2-trifluoroacetate
CID 87157262

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate (CID 91733774) is 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate is CCCOC(CC)OC(CC)OC(CC)OC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is YXSUJVVIDZMQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F5O5/c1-5-9-22-10(6-2)23-11(7-3)24-12(8-4)25-13(21)14(16,17)15(18,19)20/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate?
1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 380.35 g/mol, XLogP of 4.40, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-propoxypropoxy)propoxy]propyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91733774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).