2,2-difluoro-5,5-dimethylhexanoic acid

C8H14F2O2 — CID 83855276

IUPAC2,2-difluoro-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CCC(F)(F)C(=O)O
InChIInChI=1S/C8H14F2O2/c1-7(2,3)4-5-8(9,10)6(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyHBIPSDOFMGSIFU-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.53
Rot. Bonds3

About 2,2-difluoro-5,5-dimethylhexanoic acid

2,2-difluoro-5,5-dimethylhexanoic acid (PubChem CID 83855276) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 2,2-difluoro-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name2,2-difluoro-5,5-dimethylhexanoic acid
PubChem CID83855276
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name2,2-difluoro-5,5-dimethylhexanoic acid
SMILESCC(C)(C)CCC(F)(F)C(=O)O
InChIInChI=1S/C8H14F2O2/c1-7(2,3)4-5-8(9,10)6(11)12/h4-5H2,1-3H3,(H,11,12)
InChIKeyHBIPSDOFMGSIFU-UHFFFAOYSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

2,2-difluoroheptanoic acid
CID 14928309
3-tert-butylsulfanyl-2,2-difluoropropanoic acid
CID 165462210
(2R)-2-ethyl-5,5-dimethyl-2-(trifluoromethylsulfonyloxy)hexanoic acid
CID 88706827
tetrakis(2,2-dimethylpropanoic acid);molybdenum
CID 171378141
2,2-difluorohexadecanoic acid;molecular hydrogen
CID 91802263
2-tert-butylperoxy-2,5,5-trimethylhexanoic acid
CID 151911621
2,2-difluoro-3-methylsulfinylpropanoic acid
CID 165467565
sodium 2,2-bis(4,4-dimethylpentyl)propanedioic acid
CID 54602708
(2S)-2-fluoro-2-methylbutanoic acid
CID 18651777
2-fluoro-2-methylbutanoic acid
CID 11366977
2,2-difluoro-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propanoic acid
CID 165464166
3-[tert-butyl(ethyl)amino]-2,2-difluoropropanoic acid
CID 165466732

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5,5-dimethylhexanoic acid?
The IUPAC name of 2,2-difluoro-5,5-dimethylhexanoic acid (CID 83855276) is 2,2-difluoro-5,5-dimethylhexanoic acid.
What is the SMILES notation for 2,2-difluoro-5,5-dimethylhexanoic acid?
The canonical SMILES for 2,2-difluoro-5,5-dimethylhexanoic acid is CC(C)(C)CCC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-5,5-dimethylhexanoic acid?
The InChIKey is HBIPSDOFMGSIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-7(2,3)4-5-8(9,10)6(11)12/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 2,2-difluoro-5,5-dimethylhexanoic acid?
2,2-difluoro-5,5-dimethylhexanoic acid has a molecular weight of 180.19 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5,5-dimethylhexanoic acid is sourced from PubChem (CID 83855276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).