methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid

C6H5F9O3 — CID 175541225

IUPACmethanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
SMILESCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF9O2.CH4O/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14;1-2/h(H,15,16);2H,1H3
InChIKeyRQDWEJVNEZRYOF-UHFFFAOYSA-N
MW296.09 g/mol
LogP2.15
Rot. Bonds3

About methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid

methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid (PubChem CID 175541225) has the molecular formula C6H5F9O3 and a molecular weight of 296.09 g/mol. Its IUPAC name is methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid.

Molecular Properties

Compound Namemethanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
PubChem CID175541225
Molecular FormulaC6H5F9O3
Molecular Weight296.09 g/mol
Exact Mass296.01
IUPAC Namemethanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
SMILESCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF9O2.CH4O/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14;1-2/h(H,15,16);2H,1H3
InChIKeyRQDWEJVNEZRYOF-UHFFFAOYSA-N
XLogP2.15
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.09
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluoro(1,2-13C2)hexadecanoic acid
CID 165363579
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid;hydrochloride
CID 162574221
silver;2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoic acid
CID 142472251
CID 87197616
CID 87197616
CID 87771874
CID 87771874
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
CID 87460602
azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecanoic acid
CID 122236803
chromium;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 170845067
azane;bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid)
CID 175748191
alumane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 175046918
lithium;hydride;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 173098001
2-methylpropan-2-amine;2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanoic acid
CID 13311593

Frequently Asked Questions

What is the IUPAC name of methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid?
The IUPAC name of methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid (CID 175541225) is methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid.
What is the SMILES notation for methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid?
The canonical SMILES for methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid is CO.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid?
The InChIKey is RQDWEJVNEZRYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF9O2.CH4O/c6-2(7,1(15)16)3(8,9)4(10,11)5(12,13)14;1-2/h(H,15,16);2H,1H3.
What are the key properties of methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid?
methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid has a molecular weight of 296.09 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid is sourced from PubChem (CID 175541225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).