2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane

C9H13F3O4 — CID 145105698

IUPAC2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane
SMILESC.O=C(OC1COC2CCOC21)C(F)(F)F
InChIInChI=1S/C8H9F3O4.CH4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5;/h4-6H,1-3H2;1H4
InChIKeyODWPQDLTLURKLH-UHFFFAOYSA-N
MW242.19 g/mol
LogP1.28
Rot. Bonds1

About 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane

2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane (PubChem CID 145105698) has the molecular formula C9H13F3O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane.

Molecular Properties

Compound Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane
PubChem CID145105698
Molecular FormulaC9H13F3O4
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Name2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane
SMILESC.O=C(OC1COC2CCOC21)C(F)(F)F
InChIInChI=1S/C8H9F3O4.CH4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5;/h4-6H,1-3H2;1H4
InChIKeyODWPQDLTLURKLH-UHFFFAOYSA-N
XLogP1.28
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane?
The IUPAC name of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane (CID 145105698) is 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane.
What is the SMILES notation for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane?
The canonical SMILES for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane is C.O=C(OC1COC2CCOC21)C(F)(F)F.
What is the InChIKey of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane?
The InChIKey is ODWPQDLTLURKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3O4.CH4/c9-8(10,11)7(12)15-5-3-14-4-1-2-13-6(4)5;/h4-6H,1-3H2;1H4.
What are the key properties of 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane?
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane has a molecular weight of 242.19 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl 2,2,2-trifluoroacetate;methane is sourced from PubChem (CID 145105698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).