3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol

C11H17F7O3 — CID 155219958

IUPAC3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol
SMILESCC(C)(CCO)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)F
InChIInChI=1S/C11H17F7O3/c1-7(2,5-6-19)20-10(14,15)9(12,13)8(3,4)21-11(16,17)18/h19H,5-6H2,1-4H3
InChIKeyNMCKEZDBWUUAOH-UHFFFAOYSA-N
MW330.24 g/mol
LogP3.71
Rot. Bonds7

About 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol

3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol (PubChem CID 155219958) has the molecular formula C11H17F7O3 and a molecular weight of 330.24 g/mol. Its IUPAC name is 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol
PubChem CID155219958
Molecular FormulaC11H17F7O3
Molecular Weight330.24 g/mol
Exact Mass330.11
IUPAC Name3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol
SMILESCC(C)(CCO)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)F
InChIInChI=1S/C11H17F7O3/c1-7(2,5-6-19)20-10(14,15)9(12,13)8(3,4)21-11(16,17)18/h19H,5-6H2,1-4H3
InChIKeyNMCKEZDBWUUAOH-UHFFFAOYSA-N
XLogP3.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-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

Related Compounds

3-methyl-3-(1,1,2,2-tetrafluoroethoxy)butan-1-ol
CID 88558531
2-[3-(2-amino-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-3-methylbutoxy]-2-methylpropan-1-amine
CID 135202365
2,2-difluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethanol
CID 66573360
3-methoxy-3-methylbutan-1-ol;hydrate
CID 141489643
copper;3-methoxy-3-methylbutan-1-ol
CID 87410693
1,1,2,2,3,3-hexafluoro-1-(trifluoromethoxy)hexane
CID 155372956
2,2-difluoro-2-[1,1,2,2-tetrafluoro-3-methyl-1-(3,3,4,4,5,5,6,6,6-nonafluoro-2-methylhexan-2-yl)oxypentan-3-yl]oxyethanol
CID 130331500
5-(6-hydroxy-2-methylhexan-2-yl)oxy-5-methylhexan-1-ol
CID 142783625
(2S)-3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylpropan-1-ol
CID 98117480
3-(methoxymethoxy)-3-methylbutan-1-ol
CID 55264350
6-(7-hydroxy-2-methylheptan-2-yl)oxy-6-methylheptan-1-ol
CID 142777284
3,4,4,4-tetrafluoro-3-methylbutan-1-ol
CID 142168875

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol?
The IUPAC name of 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol (CID 155219958) is 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol.
What is the SMILES notation for 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol?
The canonical SMILES for 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol is CC(C)(CCO)OC(F)(F)C(F)(F)C(C)(C)OC(F)(F)F.
What is the InChIKey of 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol?
The InChIKey is NMCKEZDBWUUAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F7O3/c1-7(2,5-6-19)20-10(14,15)9(12,13)8(3,4)21-11(16,17)18/h19H,5-6H2,1-4H3.
What are the key properties of 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol?
3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol has a molecular weight of 330.24 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[1,1,2,2-tetrafluoro-3-methyl-3-(trifluoromethoxy)butoxy]butan-1-ol is sourced from PubChem (CID 155219958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).