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

C14H26F2O — CID 58275558

IUPAC1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(CCCC(F)(F)C(C)C)CC1
InChIInChI=1S/C14H26F2O/c1-11(2)14(15,16)7-5-6-13(8-9-13)10-17-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyXMQYUJCXGUALPH-UHFFFAOYSA-N
MW248.36 g/mol
LogP4.65
Rot. Bonds8

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

1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane (PubChem CID 58275558) has the molecular formula C14H26F2O and a molecular weight of 248.36 g/mol. Its IUPAC name is 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
PubChem CID58275558
Molecular FormulaC14H26F2O
Molecular Weight248.36 g/mol
Exact Mass248.20
IUPAC Name1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(CCCC(F)(F)C(C)C)CC1
InChIInChI=1S/C14H26F2O/c1-11(2)14(15,16)7-5-6-13(8-9-13)10-17-12(3)4/h11-12H,5-10H2,1-4H3
InChIKeyXMQYUJCXGUALPH-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
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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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
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
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)cyclopropane?
The IUPAC name of 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane (CID 58275558) is 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane is CC(C)OCC1(CCCC(F)(F)C(C)C)CC1.
What is the InChIKey of 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane?
The InChIKey is XMQYUJCXGUALPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2O/c1-11(2)14(15,16)7-5-6-13(8-9-13)10-17-12(3)4/h11-12H,5-10H2,1-4H3.
What are the key properties of 1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane?
1-(4,4-difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclopropane has a molecular weight of 248.36 g/mol, XLogP of 4.65, 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)cyclopropane is sourced from PubChem (CID 58275558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).