3,3,5,5-tetrafluorohexanoic acid

C6H8F4O2 — CID 121308526

IUPAC3,3,5,5-tetrafluorohexanoic acid
SMILESCC(F)(F)CC(F)(F)CC(=O)O
InChIInChI=1S/C6H8F4O2/c1-5(7,8)3-6(9,10)2-4(11)12/h2-3H2,1H3,(H,11,12)
InChIKeyVBOVURHQDRNVFJ-UHFFFAOYSA-N
MW188.12 g/mol
LogP2.14
Rot. Bonds4

About 3,3,5,5-tetrafluorohexanoic acid

3,3,5,5-tetrafluorohexanoic acid (PubChem CID 121308526) has the molecular formula C6H8F4O2 and a molecular weight of 188.12 g/mol. Its IUPAC name is 3,3,5,5-tetrafluorohexanoic acid.

Molecular Properties

Compound Name3,3,5,5-tetrafluorohexanoic acid
PubChem CID121308526
Molecular FormulaC6H8F4O2
Molecular Weight188.12 g/mol
Exact Mass188.05
IUPAC Name3,3,5,5-tetrafluorohexanoic acid
SMILESCC(F)(F)CC(F)(F)CC(=O)O
InChIInChI=1S/C6H8F4O2/c1-5(7,8)3-6(9,10)2-4(11)12/h2-3H2,1H3,(H,11,12)
InChIKeyVBOVURHQDRNVFJ-UHFFFAOYSA-N
XLogP2.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,5,5,5-hexafluoro-4-methylpentanoic acid
CID 170638924
3,3-dimethylbutanoic acid;yttrium
CID 59798482
bis(3,3-dimethylbutanoic acid);hydrochloride
CID 172719072
3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 50986491
4,4,4-trifluoro-3-methoxy-3-methylbutanoic acid
CID 105441958
manganese;3,3,5,5-tetramethylhexanoic acid
CID 139596893
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
3,3-dichlorobutanoic acid
CID 56997062
CID 174276018
CID 174276018
(1-carboxy-2-methylpropan-2-yl)azanium
CID 59614741
4,4,4-trifluoro-3-methyl-3-phosphonobutanoic acid
CID 87620822
3-fluoro-3-pentyloctanoic acid
CID 177137952

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetrafluorohexanoic acid?
The IUPAC name of 3,3,5,5-tetrafluorohexanoic acid (CID 121308526) is 3,3,5,5-tetrafluorohexanoic acid.
What is the SMILES notation for 3,3,5,5-tetrafluorohexanoic acid?
The canonical SMILES for 3,3,5,5-tetrafluorohexanoic acid is CC(F)(F)CC(F)(F)CC(=O)O.
What is the InChIKey of 3,3,5,5-tetrafluorohexanoic acid?
The InChIKey is VBOVURHQDRNVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4O2/c1-5(7,8)3-6(9,10)2-4(11)12/h2-3H2,1H3,(H,11,12).
What are the key properties of 3,3,5,5-tetrafluorohexanoic acid?
3,3,5,5-tetrafluorohexanoic acid has a molecular weight of 188.12 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetrafluorohexanoic acid is sourced from PubChem (CID 121308526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).