1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane

C15H28F2O — CID 58275572

IUPAC1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(CCCC(F)(F)C(C)C)CCC1
InChIInChI=1S/C15H28F2O/c1-12(2)15(16,17)10-6-9-14(7-5-8-14)11-18-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyVUXGZUYSUZBKGO-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.04
Rot. Bonds8

About 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane

1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane (PubChem CID 58275572) has the molecular formula C15H28F2O and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
PubChem CID58275572
Molecular FormulaC15H28F2O
Molecular Weight262.38 g/mol
Exact Mass262.21
IUPAC Name1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(CCCC(F)(F)C(C)C)CCC1
InChIInChI=1S/C15H28F2O/c1-12(2)15(16,17)10-6-9-14(7-5-8-14)11-18-13(3)4/h12-13H,5-11H2,1-4H3
InChIKeyVUXGZUYSUZBKGO-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.38
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(Butan-2-yloxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]cyclohexane
CID 57806697
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275558
7,7-Difluoro-2,2,8,8-tetramethyl-1-propan-2-yloxynonane
CID 58275561
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275562
2,2-Difluoro-6-methyl-1-propan-2-yloxyheptane
CID 58275563
2,2-Difluoro-8,8-dimethyl-1-propan-2-yloxynonane
CID 58275565
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275566
6,6-Difluoro-2,2,7-trimethyl-1-propan-2-yloxyoctane
CID 58275567
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275569
1-(5,5-Difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275571
2,2-Difluoro-9-methyl-1-propan-2-yloxydecane
CID 58275574
8-Ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
CID 58275576

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane?
The IUPAC name of 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane (CID 58275572) is 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane.
What is the SMILES notation for 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane?
The canonical SMILES for 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane is CC(C)OCC1(CCCC(F)(F)C(C)C)CCC1.
What is the InChIKey of 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane?
The InChIKey is VUXGZUYSUZBKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2O/c1-12(2)15(16,17)10-6-9-14(7-5-8-14)11-18-13(3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane?
1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane has a molecular weight of 262.38 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane is sourced from PubChem (CID 58275572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).