2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol

C8H12F6O3 — CID 171417876

IUPAC2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol
SMILESCOC(O)C(F)(OC(F)(F)C(C)C)C(F)(F)F
InChIInChI=1S/C8H12F6O3/c1-4(2)7(10,11)17-6(9,5(15)16-3)8(12,13)14/h4-5,15H,1-3H3
InChIKeyCBELZWGJABQUTR-UHFFFAOYSA-N
MW270.17 g/mol
LogP2.44
Rot. Bonds5

About 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol

2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol (PubChem CID 171417876) has the molecular formula C8H12F6O3 and a molecular weight of 270.17 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol
PubChem CID171417876
Molecular FormulaC8H12F6O3
Molecular Weight270.17 g/mol
Exact Mass270.07
IUPAC Name2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol
SMILESCOC(O)C(F)(OC(F)(F)C(C)C)C(F)(F)F
InChIInChI=1S/C8H12F6O3/c1-4(2)7(10,11)17-6(9,5(15)16-3)8(12,13)14/h4-5,15H,1-3H3
InChIKeyCBELZWGJABQUTR-UHFFFAOYSA-N
XLogP2.44
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol?
The IUPAC name of 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol (CID 171417876) is 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol is COC(O)C(F)(OC(F)(F)C(C)C)C(F)(F)F.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol?
The InChIKey is CBELZWGJABQUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O3/c1-4(2)7(10,11)17-6(9,5(15)16-3)8(12,13)14/h4-5,15H,1-3H3.
What are the key properties of 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol?
2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol has a molecular weight of 270.17 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropoxy)-2,3,3,3-tetrafluoro-1-methoxypropan-1-ol is sourced from PubChem (CID 171417876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).