6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid

C10H18F2O3 — CID 106714392

IUPAC6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
SMILESCC(C)(CCCCOCC(F)F)C(=O)O
InChIInChI=1S/C10H18F2O3/c1-10(2,9(13)14)5-3-4-6-15-7-8(11)12/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyZFLUFWRXJIJDPP-UHFFFAOYSA-N
MW224.25 g/mol
LogP2.55
Rot. Bonds8

About 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid

6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid (PubChem CID 106714392) has the molecular formula C10H18F2O3 and a molecular weight of 224.25 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
PubChem CID106714392
Molecular FormulaC10H18F2O3
Molecular Weight224.25 g/mol
Exact Mass224.12
IUPAC Name6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid
SMILESCC(C)(CCCCOCC(F)F)C(=O)O
InChIInChI=1S/C10H18F2O3/c1-10(2,9(13)14)5-3-4-6-15-7-8(11)12/h8H,3-7H2,1-2H3,(H,13,14)
InChIKeyZFLUFWRXJIJDPP-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-6-(2-methylpentoxy)hexanoic acid
CID 106714417
2,2-dimethyl-6-(2-propoxyethoxy)hexanoic acid
CID 106714362
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]hexanoic acid
CID 106714396
calcium;6-(5-carboxy-5-methylhexoxy)-2,2-dimethylhexanoate;methane
CID 158008007
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
5-(2,2-difluoroethoxy)-2-ethyl-2-(propan-2-ylamino)pentanoic acid
CID 106807136
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 82005976
6-[(E)-but-2-enoxy]-2,2-dimethylhexanoic acid
CID 106714325
2-(cyclopropylamino)-4-(2,2-difluoroethoxy)-2-methylbutanoic acid
CID 82006585
4-(difluoromethoxy)-2,2-dimethylbutanoic acid
CID 84718616
8-(5-carboxy-5-methylhexoxy)-4-ethenyl-2,2-dimethyloctanoic acid
CID 140929040
ethyl 2-(cyclopropylamino)-6-(2,2-difluoroethoxy)-2-methylhexanoate
CID 82007194

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid?
The IUPAC name of 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid (CID 106714392) is 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid?
The canonical SMILES for 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid is CC(C)(CCCCOCC(F)F)C(=O)O.
What is the InChIKey of 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid?
The InChIKey is ZFLUFWRXJIJDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2O3/c1-10(2,9(13)14)5-3-4-6-15-7-8(11)12/h8H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid?
6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid has a molecular weight of 224.25 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-2,2-dimethylhexanoic acid is sourced from PubChem (CID 106714392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).