3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane

C13H22F4O — CID 134188937

IUPAC3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane
SMILESCC(C)C1COCC(C(F)(F)C(C)(C)C)C1(F)F
InChIInChI=1S/C13H22F4O/c1-8(2)9-6-18-7-10(12(9,14)15)13(16,17)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyAOWYHBJSXCKUBF-UHFFFAOYSA-N
MW270.31 g/mol
LogP4.22
Rot. Bonds2

About 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane

3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane (PubChem CID 134188937) has the molecular formula C13H22F4O and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane.

Molecular Properties

Compound Name3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane
PubChem CID134188937
Molecular FormulaC13H22F4O
Molecular Weight270.31 g/mol
Exact Mass270.16
IUPAC Name3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane
SMILESCC(C)C1COCC(C(F)(F)C(C)(C)C)C1(F)F
InChIInChI=1S/C13H22F4O/c1-8(2)9-6-18-7-10(12(9,14)15)13(16,17)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyAOWYHBJSXCKUBF-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane?
The IUPAC name of 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane (CID 134188937) is 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane.
What is the SMILES notation for 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane?
The canonical SMILES for 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane is CC(C)C1COCC(C(F)(F)C(C)(C)C)C1(F)F.
What is the InChIKey of 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane?
The InChIKey is AOWYHBJSXCKUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4O/c1-8(2)9-6-18-7-10(12(9,14)15)13(16,17)11(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane?
3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane has a molecular weight of 270.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2,2-dimethylpropyl)-4,4-difluoro-5-propan-2-yloxane is sourced from PubChem (CID 134188937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).