2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride

C7H21F5O5 — CID 175224528

IUPAC2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
SMILESCCC(=O)O.F.F.F.F.F.OCCOCCO
InChIInChI=1S/C4H10O3.C3H6O2.5FH/c5-1-3-7-4-2-6;1-2-3(4)5;;;;;/h5-6H,1-4H2;2H2,1H3,(H,4,5);5*1H
InChIKeyQUYIYUGVFHKRGF-UHFFFAOYSA-N
MW280.23 g/mol
LogP0.23
Rot. Bonds5

About 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride

2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride (PubChem CID 175224528) has the molecular formula C7H21F5O5 and a molecular weight of 280.23 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
PubChem CID175224528
Molecular FormulaC7H21F5O5
Molecular Weight280.23 g/mol
Exact Mass280.13
IUPAC Name2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
SMILESCCC(=O)O.F.F.F.F.F.OCCOCCO
InChIInChI=1S/C4H10O3.C3H6O2.5FH/c5-1-3-7-4-2-6;1-2-3(4)5;;;;;/h5-6H,1-4H2;2H2,1H3,(H,4,5);5*1H
InChIKeyQUYIYUGVFHKRGF-UHFFFAOYSA-N
XLogP0.23
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
2-ethoxyethanol;propanoic acid
CID 71354268
acetic acid;2-(2-hydroxyethoxy)ethanol
CID 158067636
2-hydroxyethyl propanoate;propanoic acid
CID 175568032
propanoic acid;dihydrofluoride
CID 173419874
bis(hexanedioic acid);2-(2-hydroxyethoxy)ethanol
CID 159827287
CID 172913435
CID 172913435
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
bis(hexanoic acid);2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 87064442
azane;propanoic acid;hydrofluoride
CID 174943472
heptanoic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 87510106
acetic acid;acetyl ethaneperoxoate;2-(2-hydroxyethoxy)ethanol
CID 88742997

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride?
The IUPAC name of 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride (CID 175224528) is 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride?
The canonical SMILES for 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride is CCC(=O)O.F.F.F.F.F.OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride?
The InChIKey is QUYIYUGVFHKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O3.C3H6O2.5FH/c5-1-3-7-4-2-6;1-2-3(4)5;;;;;/h5-6H,1-4H2;2H2,1H3,(H,4,5);5*1H.
What are the key properties of 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride?
2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride has a molecular weight of 280.23 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride is sourced from PubChem (CID 175224528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).