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

C13H24F2O — CID 58275579

IUPAC1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(CCC(F)(F)C(C)C)CC1
InChIInChI=1S/C13H24F2O/c1-10(2)13(14,15)8-7-12(5-6-12)9-16-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyZWFAMTDXOHLWIB-UHFFFAOYSA-N
MW234.33 g/mol
LogP4.26
Rot. Bonds7

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

1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane (PubChem CID 58275579) has the molecular formula C13H24F2O and a molecular weight of 234.33 g/mol. Its IUPAC name is 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane
PubChem CID58275579
Molecular FormulaC13H24F2O
Molecular Weight234.33 g/mol
Exact Mass234.18
IUPAC Name1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(CCC(F)(F)C(C)C)CC1
InChIInChI=1S/C13H24F2O/c1-10(2)13(14,15)8-7-12(5-6-12)9-16-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyZWFAMTDXOHLWIB-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
CID 18998992
[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-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275572
2,2-Difluoro-9-methyl-1-propan-2-yloxydecane
CID 58275574

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane?
The IUPAC name of 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane (CID 58275579) is 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane is CC(C)OCC1(CCC(F)(F)C(C)C)CC1.
What is the InChIKey of 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane?
The InChIKey is ZWFAMTDXOHLWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2O/c1-10(2)13(14,15)8-7-12(5-6-12)9-16-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane?
1-(3,3-difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane has a molecular weight of 234.33 g/mol, XLogP of 4.26, 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)cyclopropane is sourced from PubChem (CID 58275579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).