2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane

C15H28F4O3 — CID 154595644

IUPAC2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane
SMILESCCC(F)(F)OC(C)(C)OC(C)(C)C(C)(C)OC(F)(F)CC
InChIInChI=1S/C15H28F4O3/c1-9-14(16,17)21-12(5,6)11(3,4)20-13(7,8)22-15(18,19)10-2/h9-10H2,1-8H3
InChIKeyKEYFPJRMJGTFOX-UHFFFAOYSA-N
MW332.38 g/mol
LogP5.34
Rot. Bonds9

About 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane

2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane (PubChem CID 154595644) has the molecular formula C15H28F4O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane.

Molecular Properties

Compound Name2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane
PubChem CID154595644
Molecular FormulaC15H28F4O3
Molecular Weight332.38 g/mol
Exact Mass332.20
IUPAC Name2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane
SMILESCCC(F)(F)OC(C)(C)OC(C)(C)C(C)(C)OC(F)(F)CC
InChIInChI=1S/C15H28F4O3/c1-9-14(16,17)21-12(5,6)11(3,4)20-13(7,8)22-15(18,19)10-2/h9-10H2,1-8H3
InChIKeyKEYFPJRMJGTFOX-UHFFFAOYSA-N
XLogP5.34
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane?
The IUPAC name of 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane (CID 154595644) is 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane.
What is the SMILES notation for 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane?
The canonical SMILES for 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane is CCC(F)(F)OC(C)(C)OC(C)(C)C(C)(C)OC(F)(F)CC.
What is the InChIKey of 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane?
The InChIKey is KEYFPJRMJGTFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F4O3/c1-9-14(16,17)21-12(5,6)11(3,4)20-13(7,8)22-15(18,19)10-2/h9-10H2,1-8H3.
What are the key properties of 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane?
2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane has a molecular weight of 332.38 g/mol, XLogP of 5.34, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropoxy)-3-[2-(1,1-difluoropropoxy)propan-2-yloxy]-2,3-dimethylbutane is sourced from PubChem (CID 154595644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).