10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol

C16H14F20O3 — CID 18995422

IUPAC10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol
SMILESCCCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C16H14F20O3/c1-2-3-4-38-5-6-39-16(35,36)14(31,32)12(27,28)10(23,24)8(19,20)7(17,18)9(21,22)11(25,26)13(29,30)15(33,34)37/h37H,2-6H2,1H3
InChIKeyOGTUDAHUTRZSDD-UHFFFAOYSA-N
MW634.24 g/mol
LogP7.08
Rot. Bonds16

About 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol

10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol (PubChem CID 18995422) has the molecular formula C16H14F20O3 and a molecular weight of 634.24 g/mol. Its IUPAC name is 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol.

Molecular Properties

Compound Name10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol
PubChem CID18995422
Molecular FormulaC16H14F20O3
Molecular Weight634.24 g/mol
Exact Mass634.06
IUPAC Name10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol
SMILESCCCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C16H14F20O3/c1-2-3-4-38-5-6-39-16(35,36)14(31,32)12(27,28)10(23,24)8(19,20)7(17,18)9(21,22)11(25,26)13(29,30)15(33,34)37/h37H,2-6H2,1H3
InChIKeyOGTUDAHUTRZSDD-UHFFFAOYSA-N
XLogP7.08
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.24
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol?
The IUPAC name of 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol (CID 18995422) is 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol.
What is the SMILES notation for 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol?
The canonical SMILES for 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol is CCCCOCCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)(F)F.
What is the InChIKey of 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol?
The InChIKey is OGTUDAHUTRZSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F20O3/c1-2-3-4-38-5-6-39-16(35,36)14(31,32)12(27,28)10(23,24)8(19,20)7(17,18)9(21,22)11(25,26)13(29,30)15(33,34)37/h37H,2-6H2,1H3.
What are the key properties of 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol?
10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol has a molecular weight of 634.24 g/mol, XLogP of 7.08, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-butoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluorodecan-1-ol is sourced from PubChem (CID 18995422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).