4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol

C15H26F6O3 — CID 89343995

IUPAC4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol
SMILESCC(C)OC(F)(F)C(C)(C)C(C)(C)OC(F)(F)C(F)(F)C(C)(C)O
InChIInChI=1S/C15H26F6O3/c1-9(2)23-14(18,19)10(3,4)12(7,8)24-15(20,21)13(16,17)11(5,6)22/h9,22H,1-8H3
InChIKeyDCNGKLRNVYCFMI-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.82
Rot. Bonds8

About 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol

4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol (PubChem CID 89343995) has the molecular formula C15H26F6O3 and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol
PubChem CID89343995
Molecular FormulaC15H26F6O3
Molecular Weight368.36 g/mol
Exact Mass368.18
IUPAC Name4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol
SMILESCC(C)OC(F)(F)C(C)(C)C(C)(C)OC(F)(F)C(F)(F)C(C)(C)O
InChIInChI=1S/C15H26F6O3/c1-9(2)23-14(18,19)10(3,4)12(7,8)24-15(20,21)13(16,17)11(5,6)22/h9,22H,1-8H3
InChIKeyDCNGKLRNVYCFMI-UHFFFAOYSA-N
XLogP4.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol with MolForge

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Related Compounds

3,3,4-Trifluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylbutan-2-ol
CID 57740572
2,2-Bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butan-1-ol
CID 57912303
1-(3,3-Difluorobutan-2-yloxy)-1,1-difluoro-2,2,3-trimethyl-3-(1,1,2,2-tetrafluoro-3-methoxybutoxy)butane
CID 88866204
4-(Butan-2-yloxymethyl)-2,4-dimethyl-5-(2,2,3,3,3-pentafluoropropoxy)pentan-2-ol
CID 88936041
2-(Difluoromethyl)-1,1,1,3,3-pentafluoro-4-(2-methylbutoxy)pentan-2-ol
CID 88981378
3-(2-Ethyl-1,1-difluoro-2,3-dimethylbutoxy)-2,2-difluoro-3-methylbutan-1-ol
CID 89027941
2-Fluoro-3-methyl-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-2-(trifluoromethyl)-3-(1,1,2-trifluoro-2-methylbutoxy)butoxy]butan-1-ol
CID 89145258
2-Fluoro-2-(trifluoromethyl)-3-[1,1,2-trifluoro-3-methyl-3-(1,1,2-trifluoro-4,4-dimethylpentoxy)-2-(trifluoromethyl)butoxy]butan-1-ol
CID 89145260
3,3-Difluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylbutan-2-ol
CID 89197113
2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol
CID 89228519
2-Methyl-2-(2,2,2-trifluoroethoxymethyl)butane-1,3-diol
CID 89256803
3-(Difluoromethoxy)-1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 89343999

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol?
The IUPAC name of 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol (CID 89343995) is 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol is CC(C)OC(F)(F)C(C)(C)C(C)(C)OC(F)(F)C(F)(F)C(C)(C)O.
What is the InChIKey of 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol?
The InChIKey is DCNGKLRNVYCFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F6O3/c1-9(2)23-14(18,19)10(3,4)12(7,8)24-15(20,21)13(16,17)11(5,6)22/h9,22H,1-8H3.
What are the key properties of 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol?
4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol has a molecular weight of 368.36 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoro-2,3,3-trimethyl-4-propan-2-yloxybutan-2-yl)oxy-3,3,4,4-tetrafluoro-2-methylbutan-2-ol is sourced from PubChem (CID 89343995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).