1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane

C7H10F6O — CID 123332572

IUPAC1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane
SMILESCC(F)(F)F.CC1(F)COCC1(F)F
InChIInChI=1S/C5H7F3O.C2H3F3/c1-4(6)2-9-3-5(4,7)8;1-2(3,4)5/h2-3H2,1H3;1H3
InChIKeyNRTCYNQMONGQJX-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.95
Rot. Bonds

About 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane

1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane (PubChem CID 123332572) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane.

Molecular Properties

Compound Name1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane
PubChem CID123332572
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane
SMILESCC(F)(F)F.CC1(F)COCC1(F)F
InChIInChI=1S/C5H7F3O.C2H3F3/c1-4(6)2-9-3-5(4,7)8;1-2(3,4)5/h2-3H2,1H3;1H3
InChIKeyNRTCYNQMONGQJX-UHFFFAOYSA-N
XLogP2.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane?
The IUPAC name of 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane (CID 123332572) is 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane.
What is the SMILES notation for 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane?
The canonical SMILES for 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane is CC(F)(F)F.CC1(F)COCC1(F)F.
What is the InChIKey of 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane?
The InChIKey is NRTCYNQMONGQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3O.C2H3F3/c1-4(6)2-9-3-5(4,7)8;1-2(3,4)5/h2-3H2,1H3;1H3.
What are the key properties of 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane?
1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane has a molecular weight of 224.14 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoroethane;3,3,4-trifluoro-4-methyloxolane is sourced from PubChem (CID 123332572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).