ethoxy(difluoro)methanol

C3H6F2O2 — CID 57281671

IUPACethoxy(difluoro)methanol
SMILESCCOC(O)(F)F
InChIInChI=1S/C3H6F2O2/c1-2-7-3(4,5)6/h6H,2H2,1H3
InChIKeyVSQXECSOXOFERN-UHFFFAOYSA-N
MW112.07 g/mol
LogP0.57
Rot. Bonds2

About ethoxy(difluoro)methanol

ethoxy(difluoro)methanol (PubChem CID 57281671) has the molecular formula C3H6F2O2 and a molecular weight of 112.07 g/mol. Its IUPAC name is ethoxy(difluoro)methanol.

Molecular Properties

Compound Nameethoxy(difluoro)methanol
PubChem CID57281671
Molecular FormulaC3H6F2O2
Molecular Weight112.07 g/mol
Exact Mass112.03
IUPAC Nameethoxy(difluoro)methanol
SMILESCCOC(O)(F)F
InChIInChI=1S/C3H6F2O2/c1-2-7-3(4,5)6/h6H,2H2,1H3
InChIKeyVSQXECSOXOFERN-UHFFFAOYSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.07
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,2,2-Trifluoroethoxymethanetriol
CID 20460036
2,2-Difluoroethyl hydrogen carbonate
CID 21263419
Difluoro(2,2,2-trifluoroethoxy)methanol
CID 54080608
2,2,2-Trifluoroethoxymethanol
CID 54216280
2,2-Difluoroethoxy(difluoro)methanol
CID 57086823
2,2-Difluoroethoxymethanol
CID 57968354
1,2,2-Trifluoro-1-methoxyethanol
CID 86761433
2,2,2-Trifluoroethoxymethanediol
CID 87197703
1,2-Difluoro-1-methoxyethanol
CID 88308520
2,2-Difluoroethoxymethanediol
CID 166826633
1-Ethoxy-2,2-difluoroethane-1,1-diol
CID 170694655
1-(Difluoromethoxy)-1-fluoroethanol
CID 173633538

Frequently Asked Questions

What is the IUPAC name of ethoxy(difluoro)methanol?
The IUPAC name of ethoxy(difluoro)methanol (CID 57281671) is ethoxy(difluoro)methanol.
What is the SMILES notation for ethoxy(difluoro)methanol?
The canonical SMILES for ethoxy(difluoro)methanol is CCOC(O)(F)F.
What is the InChIKey of ethoxy(difluoro)methanol?
The InChIKey is VSQXECSOXOFERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6F2O2/c1-2-7-3(4,5)6/h6H,2H2,1H3.
What are the key properties of ethoxy(difluoro)methanol?
ethoxy(difluoro)methanol has a molecular weight of 112.07 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(difluoro)methanol is sourced from PubChem (CID 57281671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).