5,5-difluorohexanoic acid

C6H10F2O2 — CID 53418167

IUPAC5,5-difluorohexanoic acid
SMILESCC(F)(F)CCCC(=O)O
InChIInChI=1S/C6H10F2O2/c1-6(7,8)4-2-3-5(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyMOJFHPZLBFISOD-UHFFFAOYSA-N
MW152.14 g/mol
LogP1.90
Rot. Bonds4

About 5,5-difluorohexanoic acid

5,5-difluorohexanoic acid (PubChem CID 53418167) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is 5,5-difluorohexanoic acid.

Molecular Properties

Compound Name5,5-difluorohexanoic acid
PubChem CID53418167
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name5,5-difluorohexanoic acid
SMILESCC(F)(F)CCCC(=O)O
InChIInChI=1S/C6H10F2O2/c1-6(7,8)4-2-3-5(9)10/h2-4H2,1H3,(H,9,10)
InChIKeyMOJFHPZLBFISOD-UHFFFAOYSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,6,6,6-pentafluorohexanoic acid
CID 12017059
5-hydroxy-5,6,6-trimethylheptanoic acid
CID 139885308
chloromethane;pentanedioic acid
CID 159659659
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963
ruthenium;tris(2,2,3,3-tetramethylheptanedioic acid)
CID 173029770
6-amino-5,5-dimethylhexanoic acid;hydrochloride
CID 175554592
CID 173033725
CID 173033725
(2S)-2-hydroxy-2-methylpentanedioic acid
CID 87384550
5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
CID 18469837
5,5-dimethylhexanoic acid;4,4-dimethylpentanoic acid;methane;2-methylpropane
CID 165061333
5,5-diethoxyhexanoic acid
CID 174569404
6,6-dimethylheptanoic acid;8,8-dimethylnonanoic acid;zinc
CID 56844104

Frequently Asked Questions

What is the IUPAC name of 5,5-difluorohexanoic acid?
The IUPAC name of 5,5-difluorohexanoic acid (CID 53418167) is 5,5-difluorohexanoic acid.
What is the SMILES notation for 5,5-difluorohexanoic acid?
The canonical SMILES for 5,5-difluorohexanoic acid is CC(F)(F)CCCC(=O)O.
What is the InChIKey of 5,5-difluorohexanoic acid?
The InChIKey is MOJFHPZLBFISOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c1-6(7,8)4-2-3-5(9)10/h2-4H2,1H3,(H,9,10).
What are the key properties of 5,5-difluorohexanoic acid?
5,5-difluorohexanoic acid has a molecular weight of 152.14 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorohexanoic acid is sourced from PubChem (CID 53418167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).