2-ethyl-5,5-difluorohexanoic acid

C8H14F2O2 — CID 126844332

IUPAC2-ethyl-5,5-difluorohexanoic acid
SMILESCCC(CCC(C)(F)F)C(=O)O
InChIInChI=1S/C8H14F2O2/c1-3-6(7(11)12)4-5-8(2,9)10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyVHSBFHZMDOXBSH-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.53
Rot. Bonds5

About 2-ethyl-5,5-difluorohexanoic acid

2-ethyl-5,5-difluorohexanoic acid (PubChem CID 126844332) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 2-ethyl-5,5-difluorohexanoic acid.

Molecular Properties

Compound Name2-ethyl-5,5-difluorohexanoic acid
PubChem CID126844332
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name2-ethyl-5,5-difluorohexanoic acid
SMILESCCC(CCC(C)(F)F)C(=O)O
InChIInChI=1S/C8H14F2O2/c1-3-6(7(11)12)4-5-8(2,9)10/h6H,3-5H2,1-2H3,(H,11,12)
InChIKeyVHSBFHZMDOXBSH-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-ethyl-2,2-dimethylhexanedioic acid
CID 142768859
CID 123134376
CID 123134376
CID 87086045
CID 87086045
ethane;2-ethylbutanoic acid
CID 142229949
2-ethylnonanoic acid;2,2,2-trifluoroacetic acid
CID 175106735
2-tert-butyl-2,5-diethylhexanedioic acid
CID 174961257
2-ethylpentanoic acid
CID 158993232
2-ethylpentanoic acid
CID 30020
magnesium;bis(2-ethylbutanoic acid);hydride
CID 174895693
bis(2-ethylhexanoic acid);manganese(3+)
CID 175736722
bis(2-ethylhexanoic acid);manganese
CID 173402583
2-ethylhexanoic acid;palladium(2+)
CID 18629949

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-difluorohexanoic acid?
The IUPAC name of 2-ethyl-5,5-difluorohexanoic acid (CID 126844332) is 2-ethyl-5,5-difluorohexanoic acid.
What is the SMILES notation for 2-ethyl-5,5-difluorohexanoic acid?
The canonical SMILES for 2-ethyl-5,5-difluorohexanoic acid is CCC(CCC(C)(F)F)C(=O)O.
What is the InChIKey of 2-ethyl-5,5-difluorohexanoic acid?
The InChIKey is VHSBFHZMDOXBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-3-6(7(11)12)4-5-8(2,9)10/h6H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-ethyl-5,5-difluorohexanoic acid?
2-ethyl-5,5-difluorohexanoic acid has a molecular weight of 180.19 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-difluorohexanoic acid is sourced from PubChem (CID 126844332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).