4-(2,2,2-trifluoroethyl)oxane

C7H11F3O — CID 116932207

IUPAC4-(2,2,2-trifluoroethyl)oxane
SMILESFC(F)(F)CC1CCOCC1
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-6-1-3-11-4-2-6/h6H,1-5H2
InChIKeyWWSMSWDJGWPNCE-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.37
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)oxane

4-(2,2,2-trifluoroethyl)oxane (PubChem CID 116932207) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)oxane.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)oxane
PubChem CID116932207
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name4-(2,2,2-trifluoroethyl)oxane
SMILESFC(F)(F)CC1CCOCC1
InChIInChI=1S/C7H11F3O/c8-7(9,10)5-6-1-3-11-4-2-6/h6H,1-5H2
InChIKeyWWSMSWDJGWPNCE-UHFFFAOYSA-N
XLogP2.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)oxane?
The IUPAC name of 4-(2,2,2-trifluoroethyl)oxane (CID 116932207) is 4-(2,2,2-trifluoroethyl)oxane.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)oxane?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)oxane is FC(F)(F)CC1CCOCC1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)oxane?
The InChIKey is WWSMSWDJGWPNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c8-7(9,10)5-6-1-3-11-4-2-6/h6H,1-5H2.
What are the key properties of 4-(2,2,2-trifluoroethyl)oxane?
4-(2,2,2-trifluoroethyl)oxane has a molecular weight of 168.16 g/mol, XLogP of 2.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)oxane is sourced from PubChem (CID 116932207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).