1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane

C7H7F9O3 — CID 87197702

IUPAC1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane
SMILESFCC(F)(F)OC(OC(F)(F)CF)OC(F)(F)CF
InChIInChI=1S/C7H7F9O3/c8-1-5(11,12)17-4(18-6(13,14)2-9)19-7(15,16)3-10/h4H,1-3H2
InChIKeyWZOYISPPLFRSLH-UHFFFAOYSA-N
MW310.11 g/mol
LogP3.01
Rot. Bonds9

About 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane

1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane (PubChem CID 87197702) has the molecular formula C7H7F9O3 and a molecular weight of 310.11 g/mol. Its IUPAC name is 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane.

Molecular Properties

Compound Name1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane
PubChem CID87197702
Molecular FormulaC7H7F9O3
Molecular Weight310.11 g/mol
Exact Mass310.03
IUPAC Name1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane
SMILESFCC(F)(F)OC(OC(F)(F)CF)OC(F)(F)CF
InChIInChI=1S/C7H7F9O3/c8-1-5(11,12)17-4(18-6(13,14)2-9)19-7(15,16)3-10/h4H,1-3H2
InChIKeyWZOYISPPLFRSLH-UHFFFAOYSA-N
XLogP3.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.11
LogP ≤ 53.01
H-Bond Donors ≤ 50
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 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane?
The IUPAC name of 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane (CID 87197702) is 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane.
What is the SMILES notation for 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane?
The canonical SMILES for 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane is FCC(F)(F)OC(OC(F)(F)CF)OC(F)(F)CF.
What is the InChIKey of 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane?
The InChIKey is WZOYISPPLFRSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O3/c8-1-5(11,12)17-4(18-6(13,14)2-9)19-7(15,16)3-10/h4H,1-3H2.
What are the key properties of 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane?
1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane has a molecular weight of 310.11 g/mol, XLogP of 3.01, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(1,1,2-trifluoroethoxy)methoxy]-1,1,2-trifluoroethane is sourced from PubChem (CID 87197702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).