cumene;2-(2-fluoroethoxy)ethanol

C13H21FO2 — CID 142309026

IUPACcumene;2-(2-fluoroethoxy)ethanol
SMILESCC(C)c1ccccc1.OCCOCCF
InChIInChI=1S/C9H12.C4H9FO2/c1-8(2)9-6-4-3-5-7-9;5-1-3-7-4-2-6/h3-8H,1-2H3;6H,1-4H2
InChIKeyPIFXXZNYNSTGRA-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.77
Rot. Bonds5

About cumene;2-(2-fluoroethoxy)ethanol

cumene;2-(2-fluoroethoxy)ethanol (PubChem CID 142309026) has the molecular formula C13H21FO2 and a molecular weight of 228.31 g/mol. Its IUPAC name is cumene;2-(2-fluoroethoxy)ethanol.

Molecular Properties

Compound Namecumene;2-(2-fluoroethoxy)ethanol
PubChem CID142309026
Molecular FormulaC13H21FO2
Molecular Weight228.31 g/mol
Exact Mass228.15
IUPAC Namecumene;2-(2-fluoroethoxy)ethanol
SMILESCC(C)c1ccccc1.OCCOCCF
InChIInChI=1S/C9H12.C4H9FO2/c1-8(2)9-6-4-3-5-7-9;5-1-3-7-4-2-6/h3-8H,1-2H3;6H,1-4H2
InChIKeyPIFXXZNYNSTGRA-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cumene;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 123989591
2-[(2S)-2-phenylpropoxy]ethanol
CID 146643647
cumene;hydrogen peroxide
CID 21225480
2-[2-(2-methyl-1-phenylpropoxy)ethoxy]ethanol
CID 70556867
cumene;hydroxy hypofluorite
CID 175445754
CID 87136222
CID 87136222
benzene;cumene
CID 157215889
2-(2-fluoroethoxy)ethanol
CID 9763
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
cumene;2-methoxyethoxybenzene;2-phenoxyethanol
CID 160957770
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794

Frequently Asked Questions

What is the IUPAC name of cumene;2-(2-fluoroethoxy)ethanol?
The IUPAC name of cumene;2-(2-fluoroethoxy)ethanol (CID 142309026) is cumene;2-(2-fluoroethoxy)ethanol.
What is the SMILES notation for cumene;2-(2-fluoroethoxy)ethanol?
The canonical SMILES for cumene;2-(2-fluoroethoxy)ethanol is CC(C)c1ccccc1.OCCOCCF.
What is the InChIKey of cumene;2-(2-fluoroethoxy)ethanol?
The InChIKey is PIFXXZNYNSTGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C4H9FO2/c1-8(2)9-6-4-3-5-7-9;5-1-3-7-4-2-6/h3-8H,1-2H3;6H,1-4H2.
What are the key properties of cumene;2-(2-fluoroethoxy)ethanol?
cumene;2-(2-fluoroethoxy)ethanol has a molecular weight of 228.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;2-(2-fluoroethoxy)ethanol is sourced from PubChem (CID 142309026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).