1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol

C12H18F8O3 — CID 18995487

IUPAC1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol
SMILESCCCCCCOCCOC(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C12H18F8O3/c1-2-3-4-5-6-22-7-8-23-12(19,20)10(15,16)9(13,14)11(17,18)21/h21H,2-8H2,1H3
InChIKeyQQVJISYRQQHOIL-UHFFFAOYSA-N
MW362.26 g/mol
LogP4.05
Rot. Bonds12

About 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol

1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol (PubChem CID 18995487) has the molecular formula C12H18F8O3 and a molecular weight of 362.26 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol
PubChem CID18995487
Molecular FormulaC12H18F8O3
Molecular Weight362.26 g/mol
Exact Mass362.11
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol
SMILESCCCCCCOCCOC(F)(F)C(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C12H18F8O3/c1-2-3-4-5-6-22-7-8-23-12(19,20)10(15,16)9(13,14)11(17,18)21/h21H,2-8H2,1H3
InChIKeyQQVJISYRQQHOIL-UHFFFAOYSA-N
XLogP4.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.05
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 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol (CID 18995487) is 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol is CCCCCCOCCOC(F)(F)C(F)(F)C(F)(F)C(O)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol?
The InChIKey is QQVJISYRQQHOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F8O3/c1-2-3-4-5-6-22-7-8-23-12(19,20)10(15,16)9(13,14)11(17,18)21/h21H,2-8H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol?
1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol has a molecular weight of 362.26 g/mol, XLogP of 4.05, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-4-(2-hexoxyethoxy)butan-1-ol is sourced from PubChem (CID 18995487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).