2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid

C10H14F4O4 — CID 118673009

IUPAC2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid
SMILESCCC(C)C(=O)OCCC(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C10H14F4O4/c1-3-6(2)7(15)18-5-4-9(11,12)10(13,14)8(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyNWNMNICTXDTBQT-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.32
Rot. Bonds7

About 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid

2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid (PubChem CID 118673009) has the molecular formula C10H14F4O4 and a molecular weight of 274.21 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid
PubChem CID118673009
Molecular FormulaC10H14F4O4
Molecular Weight274.21 g/mol
Exact Mass274.08
IUPAC Name2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid
SMILESCCC(C)C(=O)OCCC(F)(F)C(F)(F)C(=O)O
InChIInChI=1S/C10H14F4O4/c1-3-6(2)7(15)18-5-4-9(11,12)10(13,14)8(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyNWNMNICTXDTBQT-UHFFFAOYSA-N
XLogP2.32
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Diethyl 2,2-difluoro-4-methylpentanedioate
CID 142601676
5-Acetoxy-4-methylpentanoic acid
CID 254284
2,2-Difluoro-2-(oxan-4-yl)acetic acid
CID 57429867
Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-methyl-5-methoxypentyl ester
CID 91692289
Glutaric acid, 2,2,3,3,4,4,5,5-octafluoropentyl 3-methyl-5-methoxypentyl ester
CID 91692302
Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-methylbutyl ester
CID 91736449
Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-methylbutyl ester
CID 91736479
Glutaric acid, 2,2,3,3-tetrafluoropropyl isobutyl ester
CID 91736484
Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-ethylbutyl ester
CID 91736492
Glutaric acid, 2,2,3,3-tetrafluoropropyl 2-methylpentyl ester
CID 91736493
Glutaric acid, 2,2,3,3-tetrafluoropropyl 3-methylbut-2-yl ester
CID 91736565
Glutaric acid, 3-methylbut-2-yl 2,2,3,3,3-pentafluoropropyl ester
CID 91738425

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid (CID 118673009) is 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid is CCC(C)C(=O)OCCC(F)(F)C(F)(F)C(=O)O.
What is the InChIKey of 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid?
The InChIKey is NWNMNICTXDTBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4O4/c1-3-6(2)7(15)18-5-4-9(11,12)10(13,14)8(16)17/h6H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid?
2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid has a molecular weight of 274.21 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-5-(2-methylbutanoyloxy)pentanoic acid is sourced from PubChem (CID 118673009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).