2,2-bis(trifluoromethoxy)ethanol

C4H4F6O3 — CID 175090363

IUPAC2,2-bis(trifluoromethoxy)ethanol
SMILESOCC(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C4H4F6O3/c5-3(6,7)12-2(1-11)13-4(8,9)10/h2,11H,1H2
InChIKeyJKSUQFODZFRCBD-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.38
Rot. Bonds3

About 2,2-bis(trifluoromethoxy)ethanol

2,2-bis(trifluoromethoxy)ethanol (PubChem CID 175090363) has the molecular formula C4H4F6O3 and a molecular weight of 214.06 g/mol. Its IUPAC name is 2,2-bis(trifluoromethoxy)ethanol.

Molecular Properties

Compound Name2,2-bis(trifluoromethoxy)ethanol
PubChem CID175090363
Molecular FormulaC4H4F6O3
Molecular Weight214.06 g/mol
Exact Mass214.01
IUPAC Name2,2-bis(trifluoromethoxy)ethanol
SMILESOCC(OC(F)(F)F)OC(F)(F)F
InChIInChI=1S/C4H4F6O3/c5-3(6,7)12-2(1-11)13-4(8,9)10/h2,11H,1H2
InChIKeyJKSUQFODZFRCBD-UHFFFAOYSA-N
XLogP1.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(trifluoromethoxy)ethanol?
The IUPAC name of 2,2-bis(trifluoromethoxy)ethanol (CID 175090363) is 2,2-bis(trifluoromethoxy)ethanol.
What is the SMILES notation for 2,2-bis(trifluoromethoxy)ethanol?
The canonical SMILES for 2,2-bis(trifluoromethoxy)ethanol is OCC(OC(F)(F)F)OC(F)(F)F.
What is the InChIKey of 2,2-bis(trifluoromethoxy)ethanol?
The InChIKey is JKSUQFODZFRCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F6O3/c5-3(6,7)12-2(1-11)13-4(8,9)10/h2,11H,1H2.
What are the key properties of 2,2-bis(trifluoromethoxy)ethanol?
2,2-bis(trifluoromethoxy)ethanol has a molecular weight of 214.06 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(trifluoromethoxy)ethanol is sourced from PubChem (CID 175090363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).