1,1,2-trifluoro-1-(trifluoromethoxy)ethane

C3H2F6O — CID 3741676

IUPAC1,1,2-trifluoro-1-(trifluoromethoxy)ethane
SMILESFCC(F)(F)OC(F)(F)F
InChIInChI=1S/C3H2F6O/c4-1-2(5,6)10-3(7,8)9/h1H2
InChIKeyKUDXSTOOVPFRHQ-UHFFFAOYSA-N
MW168.04 g/mol
LogP2.09
Rot. Bonds2

About 1,1,2-trifluoro-1-(trifluoromethoxy)ethane

1,1,2-trifluoro-1-(trifluoromethoxy)ethane (PubChem CID 3741676) has the molecular formula C3H2F6O and a molecular weight of 168.04 g/mol. Its IUPAC name is 1,1,2-trifluoro-1-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,2-trifluoro-1-(trifluoromethoxy)ethane
PubChem CID3741676
Molecular FormulaC3H2F6O
Molecular Weight168.04 g/mol
Exact Mass168.00
IUPAC Name1,1,2-trifluoro-1-(trifluoromethoxy)ethane
SMILESFCC(F)(F)OC(F)(F)F
InChIInChI=1S/C3H2F6O/c4-1-2(5,6)10-3(7,8)9/h1H2
InChIKeyKUDXSTOOVPFRHQ-UHFFFAOYSA-N
XLogP2.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.04
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,1,2-trifluoro-1-(trifluoromethoxy)ethane 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

Desflurane
CID 42113
1,1,2,2,3,3-Hexafluoro-1-(trifluoromethoxy)propane
CID 45075664
2,2,2-Trifluoroethyl difluoromethyl ether
CID 74668
(2S)-2-(difluoromethoxy)-1,1,1,2-tetrafluoroethane
CID 7098670
1,1,1,2-Tetrafluoro-2-(trifluoromethoxy)ethane
CID 2776667
1,1,2,2-Tetrafluoro-1-(trifluoromethoxy)ethane
CID 10943166
Difluoromethyl 1,1,2,2-tetrafluoroethyl ether
CID 122960
1-(Difluoromethoxy)-1,1,2-trifluoroethane
CID 22178540
1,2,2-Trifluoroethyl trifluoromethyl ether
CID 2777152
2,2,2-Trifluoroethyl trifluoromethyl ether
CID 2777154
(R)-desflurane
CID 11877135
1-(Difluoromethoxy)-1,2,2-trifluoroethane
CID 108416

Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-1-(trifluoromethoxy)ethane?
The IUPAC name of 1,1,2-trifluoro-1-(trifluoromethoxy)ethane (CID 3741676) is 1,1,2-trifluoro-1-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,1,2-trifluoro-1-(trifluoromethoxy)ethane?
The canonical SMILES for 1,1,2-trifluoro-1-(trifluoromethoxy)ethane is FCC(F)(F)OC(F)(F)F.
What is the InChIKey of 1,1,2-trifluoro-1-(trifluoromethoxy)ethane?
The InChIKey is KUDXSTOOVPFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O/c4-1-2(5,6)10-3(7,8)9/h1H2.
What are the key properties of 1,1,2-trifluoro-1-(trifluoromethoxy)ethane?
1,1,2-trifluoro-1-(trifluoromethoxy)ethane has a molecular weight of 168.04 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-1-(trifluoromethoxy)ethane is sourced from PubChem (CID 3741676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).