1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane

C15H28F2O — CID 58275589

IUPAC1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(CCCC(F)(F)C(C)(C)C)CC1
InChIInChI=1S/C15H28F2O/c1-12(2)18-11-14(9-10-14)7-6-8-15(16,17)13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyPGSSAKZUBCAOGD-UHFFFAOYSA-N
MW262.38 g/mol
LogP5.04
Rot. Bonds7

About 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane

1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane (PubChem CID 58275589) has the molecular formula C15H28F2O and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
PubChem CID58275589
Molecular FormulaC15H28F2O
Molecular Weight262.38 g/mol
Exact Mass262.21
IUPAC Name1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(CCCC(F)(F)C(C)(C)C)CC1
InChIInChI=1S/C15H28F2O/c1-12(2)18-11-14(9-10-14)7-6-8-15(16,17)13(3,4)5/h12H,6-11H2,1-5H3
InChIKeyPGSSAKZUBCAOGD-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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-[1,3-Difluoro-2-(fluoromethyl)propan-2-yl]-3-pentyloxirane
CID 18998992
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
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)cyclopentane
CID 58275568
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
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275572
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-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane?
The IUPAC name of 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane (CID 58275589) is 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane is CC(C)OCC1(CCCC(F)(F)C(C)(C)C)CC1.
What is the InChIKey of 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane?
The InChIKey is PGSSAKZUBCAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2O/c1-12(2)18-11-14(9-10-14)7-6-8-15(16,17)13(3,4)5/h12H,6-11H2,1-5H3.
What are the key properties of 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane?
1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane has a molecular weight of 262.38 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluoro-5,5-dimethylhexyl)-1-(propan-2-yloxymethyl)cyclopropane is sourced from PubChem (CID 58275589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).