6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol

C12H20F6O3 — CID 18995451

IUPAC6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol
SMILESCCCCOC(F)(F)C(F)(F)OC(F)(F)CCCCCO
InChIInChI=1S/C12H20F6O3/c1-2-3-9-20-11(15,16)12(17,18)21-10(13,14)7-5-4-6-8-19/h19H,2-9H2,1H3
InChIKeyBABCVMVRIPLECH-UHFFFAOYSA-N
MW326.28 g/mol
LogP4.15
Rot. Bonds12

About 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol

6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol (PubChem CID 18995451) has the molecular formula C12H20F6O3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol.

Molecular Properties

Compound Name6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol
PubChem CID18995451
Molecular FormulaC12H20F6O3
Molecular Weight326.28 g/mol
Exact Mass326.13
IUPAC Name6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol
SMILESCCCCOC(F)(F)C(F)(F)OC(F)(F)CCCCCO
InChIInChI=1S/C12H20F6O3/c1-2-3-9-20-11(15,16)12(17,18)21-10(13,14)7-5-4-6-8-19/h19H,2-9H2,1H3
InChIKeyBABCVMVRIPLECH-UHFFFAOYSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 54.15
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 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol?
The IUPAC name of 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol (CID 18995451) is 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol.
What is the SMILES notation for 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol?
The canonical SMILES for 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol is CCCCOC(F)(F)C(F)(F)OC(F)(F)CCCCCO.
What is the InChIKey of 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol?
The InChIKey is BABCVMVRIPLECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O3/c1-2-3-9-20-11(15,16)12(17,18)21-10(13,14)7-5-4-6-8-19/h19H,2-9H2,1H3.
What are the key properties of 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol?
6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol has a molecular weight of 326.28 g/mol, XLogP of 4.15, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-butoxy-1,1,2,2-tetrafluoroethoxy)-6,6-difluorohexan-1-ol is sourced from PubChem (CID 18995451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).