1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane

C13H24F2O — CID 123153696

IUPAC1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane
SMILESCOCC1(CC(C)C(F)(F)C(C)C)CCC1
InChIInChI=1S/C13H24F2O/c1-10(2)13(14,15)11(3)8-12(9-16-4)6-5-7-12/h10-11H,5-9H2,1-4H3
InChIKeyLPEPGPKPDSEMIH-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.12
Rot. Bonds6

About 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane

1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane (PubChem CID 123153696) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane
PubChem CID123153696
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane
SMILESCOCC1(CC(C)C(F)(F)C(C)C)CCC1
InChIInChI=1S/C13H24F2O/c1-10(2)13(14,15)11(3)8-12(9-16-4)6-5-7-12/h10-11H,5-9H2,1-4H3
InChIKeyLPEPGPKPDSEMIH-UHFFFAOYSA-N
XLogP4.12
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane?
The IUPAC name of 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane (CID 123153696) is 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane.
What is the SMILES notation for 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane?
The canonical SMILES for 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane is COCC1(CC(C)C(F)(F)C(C)C)CCC1.
What is the InChIKey of 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane?
The InChIKey is LPEPGPKPDSEMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O/c1-10(2)13(14,15)11(3)8-12(9-16-4)6-5-7-12/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane?
1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane has a molecular weight of 234.33 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-2,4-dimethylpentyl)-1-(methoxymethyl)cyclobutane is sourced from PubChem (CID 123153696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).