1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane

C6H8F6O2 — CID 87694334

IUPAC1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane
SMILESCC(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-4(13-2-5(7,8)9)14-3-6(10,11)12/h4H,2-3H2,1H3
InChIKeyDGVXCRVPAZPYKD-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.49
Rot. Bonds4

About 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane

1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane (PubChem CID 87694334) has the molecular formula C6H8F6O2 and a molecular weight of 226.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane
PubChem CID87694334
Molecular FormulaC6H8F6O2
Molecular Weight226.12 g/mol
Exact Mass226.04
IUPAC Name1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane
SMILESCC(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C6H8F6O2/c1-4(13-2-5(7,8)9)14-3-6(10,11)12/h4H,2-3H2,1H3
InChIKeyDGVXCRVPAZPYKD-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 52.49
H-Bond Donors ≤ 50
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

Ethane, 1,1-diethoxy-2,2,2-trifluoro-
CID 207952
Tris(2,2,2-trifluoroethyl)orthoformate
CID 3685970
Bis(2,2,2-trifluoroethoxy)methane
CID 11367834
Trifluoroacetaldehyde dimethyl acetal
CID 2776875
Di-(1,1,3-trihydrotetrafluoropropoxy)methane
CID 12839497
Di(2-fluoroethoxy)ethane
CID 17927459
Perfluoroacetone ethyl methyl ketal
CID 19707458
1,1,1-Trifluoro-2-(methoxymethoxy)ethane
CID 53788284
1,1-Diethoxy-2-fluoroethane
CID 53993887
1,1-Diethoxy-2,2-difluoroethane
CID 85792662
2-Methyl-1,1-bis(2,2,2-trifluoroethoxy)propane
CID 12643288
1-(2,2,3,3-Tetrafluoropropoxy)ethyl 2,2,3,3-tetrafluoropropyl ether
CID 12929800

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane?
The IUPAC name of 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane (CID 87694334) is 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane.
What is the SMILES notation for 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane?
The canonical SMILES for 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane is CC(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane?
The InChIKey is DGVXCRVPAZPYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O2/c1-4(13-2-5(7,8)9)14-3-6(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane?
1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane has a molecular weight of 226.12 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-[1-(2,2,2-trifluoroethoxy)ethoxy]ethane is sourced from PubChem (CID 87694334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).