2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

C7H5F9O3 — CID 13278449

IUPAC2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESO=C(OCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O3/c8-4(9,3(18)19-2-1-17)5(10,11)6(12,13)7(14,15)16/h17H,1-2H2
InChIKeyUJXNJXHBUSAQBQ-UHFFFAOYSA-N
MW308.10 g/mol
LogP1.99
Rot. Bonds5

About 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (PubChem CID 13278449) has the molecular formula C7H5F9O3 and a molecular weight of 308.10 g/mol. Its IUPAC name is 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.

Molecular Properties

Compound Name2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
PubChem CID13278449
Molecular FormulaC7H5F9O3
Molecular Weight308.10 g/mol
Exact Mass308.01
IUPAC Name2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESO=C(OCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F9O3/c8-4(9,3(18)19-2-1-17)5(10,11)6(12,13)7(14,15)16/h17H,1-2H2
InChIKeyUJXNJXHBUSAQBQ-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 51.99
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

2,2,3,3-tetrafluoro-4-(2-hydroxyethoxy)-4-oxobutanoic acid
CID 164747172
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,3,3,4,4,4-heptafluorobutanoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91737730
2,2,2-trifluoroethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 2748479
ethyl 2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoate
CID 526468
octyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 86127603
2-(2-chloro-2,2-difluoroacetyl)oxyethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 91725228
2-hydroxyethyl 2,2,2-trifluoroacetate;silver
CID 174706252
4-ethenoxybutyl 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoate
CID 141293636
2-(2-methylpropanoyloxy)ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 118049016
pentyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 521107
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononaneperoxoate
CID 15687701
2,2,3,3,4,4,5,5,6,6,6-undecafluorohexaneperoxoic acid
CID 14492204

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The IUPAC name of 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (CID 13278449) is 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.
What is the SMILES notation for 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The canonical SMILES for 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is O=C(OCCO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The InChIKey is UJXNJXHBUSAQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F9O3/c8-4(9,3(18)19-2-1-17)5(10,11)6(12,13)7(14,15)16/h17H,1-2H2.
What are the key properties of 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate has a molecular weight of 308.10 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is sourced from PubChem (CID 13278449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).