2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol

C9H16F2O4 — CID 162341181

IUPAC2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol
SMILESOCC(F)(F)OCCOC1CCCCO1
InChIInChI=1S/C9H16F2O4/c10-9(11,7-12)15-6-5-14-8-3-1-2-4-13-8/h8,12H,1-7H2
InChIKeyACWWXCXCRUZEDA-UHFFFAOYSA-N
MW226.22 g/mol
LogP1.13
Rot. Bonds6

About 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol

2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol (PubChem CID 162341181) has the molecular formula C9H16F2O4 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol.

Molecular Properties

Compound Name2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol
PubChem CID162341181
Molecular FormulaC9H16F2O4
Molecular Weight226.22 g/mol
Exact Mass226.10
IUPAC Name2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol
SMILESOCC(F)(F)OCCOC1CCCCO1
InChIInChI=1S/C9H16F2O4/c10-9(11,7-12)15-6-5-14-8-3-1-2-4-13-8/h8,12H,1-7H2
InChIKeyACWWXCXCRUZEDA-UHFFFAOYSA-N
XLogP1.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol 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

2-[2-[2-[2-[2-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 119058274
2-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 124522873
ethane;2-(oxan-2-yloxy)ethanol
CID 143259213
2-[2-[2-[2-[2-[2-[2-(2-chloroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 10646224
2,2-difluoro-4-(oxan-2-yloxy)butanoic acid
CID 115034304
2-[2-(4,4,4-trifluorobutoxy)ethoxy]oxane
CID 150396378
5-[(2S)-oxan-2-yl]oxypent-2-yn-1-ol
CID 99460007
2-(oxan-2-yloxy)ethyl carbamate
CID 22442425
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-[2-[2-[3-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]-2,2-bis[2-[2-(oxan-2-yloxy)ethoxy]ethoxymethyl]propoxy]ethoxy]ethoxy]oxane
CID 11181986
2-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]oxolane
CID 70907878
2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
CID 160655550

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol?
The IUPAC name of 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol (CID 162341181) is 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol.
What is the SMILES notation for 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol?
The canonical SMILES for 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol is OCC(F)(F)OCCOC1CCCCO1.
What is the InChIKey of 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol?
The InChIKey is ACWWXCXCRUZEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O4/c10-9(11,7-12)15-6-5-14-8-3-1-2-4-13-8/h8,12H,1-7H2.
What are the key properties of 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol?
2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol has a molecular weight of 226.22 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[2-(oxan-2-yloxy)ethoxy]ethanol is sourced from PubChem (CID 162341181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).