1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane

C16H30F2O — CID 58275569

IUPAC1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(CCCCC(F)(F)C(C)(C)C)CC1
InChIInChI=1S/C16H30F2O/c1-13(2)19-12-15(10-11-15)8-6-7-9-16(17,18)14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyPKCNOTPOWNTEBV-UHFFFAOYSA-N
MW276.41 g/mol
LogP5.43
Rot. Bonds8

About 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane

1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane (PubChem CID 58275569) has the molecular formula C16H30F2O and a molecular weight of 276.41 g/mol. Its IUPAC name is 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane
PubChem CID58275569
Molecular FormulaC16H30F2O
Molecular Weight276.41 g/mol
Exact Mass276.23
IUPAC Name1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane
SMILESCC(C)OCC1(CCCCC(F)(F)C(C)(C)C)CC1
InChIInChI=1S/C16H30F2O/c1-13(2)19-12-15(10-11-15)8-6-7-9-16(17,18)14(3,4)5/h13H,6-12H2,1-5H3
InChIKeyPKCNOTPOWNTEBV-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.41
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
1-(6,6-Difluoro-7-methyloctyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275562
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)cyclobutane
CID 58275571
1-(4,4-Difluoro-5-methylhexyl)-1-(propan-2-yloxymethyl)cyclobutane
CID 58275572
8-Ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
CID 58275576
1-(3,3-Difluoro-4-methylpentyl)-1-(propan-2-yloxymethyl)cyclopropane
CID 58275579

Frequently Asked Questions

What is the IUPAC name of 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane?
The IUPAC name of 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane (CID 58275569) is 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane.
What is the SMILES notation for 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane?
The canonical SMILES for 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane is CC(C)OCC1(CCCCC(F)(F)C(C)(C)C)CC1.
What is the InChIKey of 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane?
The InChIKey is PKCNOTPOWNTEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2O/c1-13(2)19-12-15(10-11-15)8-6-7-9-16(17,18)14(3,4)5/h13H,6-12H2,1-5H3.
What are the key properties of 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane?
1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane has a molecular weight of 276.41 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-difluoro-6,6-dimethylheptyl)-1-(propan-2-yloxymethyl)cyclopropane is sourced from PubChem (CID 58275569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).