1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane

C14H26F2O — CID 58275596

IUPAC1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(CCC(F)(F)C(C)C)CCC1
InChIInChI=1S/C14H26F2O/c1-11(2)14(15,16)9-8-13(6-5-7-13)10-17-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyRIEJDKFNGHHBOF-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.65
Rot. Bonds7

About 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane

1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane (PubChem CID 58275596) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane
PubChem CID58275596
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane
SMILESCC(C)OCC1(CCC(F)(F)C(C)C)CCC1
InChIInChI=1S/C14H26F2O/c1-11(2)14(15,16)9-8-13(6-5-7-13)10-17-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyRIEJDKFNGHHBOF-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 54.65
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-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane?
The IUPAC name of 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane (CID 58275596) is 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane.
What is the SMILES notation for 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane?
The canonical SMILES for 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane is CC(C)OCC1(CCC(F)(F)C(C)C)CCC1.
What is the InChIKey of 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane?
The InChIKey is RIEJDKFNGHHBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-11(2)14(15,16)9-8-13(6-5-7-13)10-17-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane?
1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane has a molecular weight of 248.36 g/mol, XLogP of 4.65, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclobutane is sourced from PubChem (CID 58275596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).