methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate

C6H6F6O3 — CID 88623685

IUPACmethyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate
SMILESCOC(=O)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C6H6F6O3/c1-15-3(14)5(9,10)6(11,12)4(7,8)2-13/h13H,2H2,1H3
InChIKeyQNYGLXZMOFWFII-UHFFFAOYSA-N
MW240.10 g/mol
LogP1.06
Rot. Bonds4

About methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate

methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate (PubChem CID 88623685) has the molecular formula C6H6F6O3 and a molecular weight of 240.10 g/mol. Its IUPAC name is methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate.

Molecular Properties

Compound Namemethyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate
PubChem CID88623685
Molecular FormulaC6H6F6O3
Molecular Weight240.10 g/mol
Exact Mass240.02
IUPAC Namemethyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate
SMILESCOC(=O)C(F)(F)C(F)(F)C(F)(F)CO
InChIInChI=1S/C6H6F6O3/c1-15-3(14)5(9,10)6(11,12)4(7,8)2-13/h13H,2H2,1H3
InChIKeyQNYGLXZMOFWFII-UHFFFAOYSA-N
XLogP1.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate
CID 2737119
2,2,3,3,4,4-hexafluoro-5-methoxy-5-oxopentanoic acid;hydrofluoride
CID 88741812
methyl 7-chloro-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
CID 2782477
methyl 2,2-difluoro-3,3-dihydroxybutanoate
CID 91543242
methyl 2,2,3,3,4,4,6,7,7-nonafluoro-5-oxohept-6-enoate
CID 20541670
1-O-ethyl 4-O-methyl 2,2,3,3-tetrafluorobutanedioate
CID 15889497
methyl 2,2,3,3,4,4,5,5-octafluoro-6-hydroxy-6-methoxyhexanoate
CID 171417883
methyl 2,2,3,3,4,4-hexafluoro-4-(1,2,2-trifluoroethenoxy)butanoate
CID 11403991
methyl 2,2,3,3,4,4,5,5,6,6-decafluoro-6-(1,2,2-trifluoroethenoxy)hexanoate
CID 11058590
ethanol;2,2,3,3,4,4,4-heptafluorobutanoyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 162534330
methyl 2-(chloroamino)-3-hydroxy-2-methylpropanoate
CID 59377336
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-10-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]decan-1-ol
CID 175826701

Frequently Asked Questions

What is the IUPAC name of methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate?
The IUPAC name of methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate (CID 88623685) is methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate.
What is the SMILES notation for methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate?
The canonical SMILES for methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate is COC(=O)C(F)(F)C(F)(F)C(F)(F)CO.
What is the InChIKey of methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate?
The InChIKey is QNYGLXZMOFWFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O3/c1-15-3(14)5(9,10)6(11,12)4(7,8)2-13/h13H,2H2,1H3.
What are the key properties of methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate?
methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate has a molecular weight of 240.10 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2,3,3,4,4-hexafluoro-5-hydroxypentanoate is sourced from PubChem (CID 88623685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).