oxolan-2-yl 2,2,2-trifluoroacetate

C6H7F3O3 — CID 12509181

IUPACoxolan-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCO1)C(F)(F)F
InChIInChI=1S/C6H7F3O3/c7-6(8,9)5(10)12-4-2-1-3-11-4/h4H,1-3H2
InChIKeyWUSFZULTWBLNFJ-UHFFFAOYSA-N
MW184.11 g/mol
LogP1.23
Rot. Bonds1

About oxolan-2-yl 2,2,2-trifluoroacetate

oxolan-2-yl 2,2,2-trifluoroacetate (PubChem CID 12509181) has the molecular formula C6H7F3O3 and a molecular weight of 184.11 g/mol. Its IUPAC name is oxolan-2-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nameoxolan-2-yl 2,2,2-trifluoroacetate
PubChem CID12509181
Molecular FormulaC6H7F3O3
Molecular Weight184.11 g/mol
Exact Mass184.03
IUPAC Nameoxolan-2-yl 2,2,2-trifluoroacetate
SMILESO=C(OC1CCCO1)C(F)(F)F
InChIInChI=1S/C6H7F3O3/c7-6(8,9)5(10)12-4-2-1-3-11-4/h4H,1-3H2
InChIKeyWUSFZULTWBLNFJ-UHFFFAOYSA-N
XLogP1.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-Trifluoroethoxy)oxolane
CID 18927808
2-(Difluoromethoxy)oxolane
CID 67952100
2-(3,3,3-Trifluoropropoxy)oxolane
CID 89576366
2-(1,1,2,2,3,3,3-Heptafluoropropoxy)oxolane
CID 89576436
5-(Trifluoromethoxy)oxolan-2-one
CID 123228308
2-(Trifluoromethoxy)oxolane
CID 123710840

Frequently Asked Questions

What is the IUPAC name of oxolan-2-yl 2,2,2-trifluoroacetate?
The IUPAC name of oxolan-2-yl 2,2,2-trifluoroacetate (CID 12509181) is oxolan-2-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for oxolan-2-yl 2,2,2-trifluoroacetate?
The canonical SMILES for oxolan-2-yl 2,2,2-trifluoroacetate is O=C(OC1CCCO1)C(F)(F)F.
What is the InChIKey of oxolan-2-yl 2,2,2-trifluoroacetate?
The InChIKey is WUSFZULTWBLNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3O3/c7-6(8,9)5(10)12-4-2-1-3-11-4/h4H,1-3H2.
What are the key properties of oxolan-2-yl 2,2,2-trifluoroacetate?
oxolan-2-yl 2,2,2-trifluoroacetate has a molecular weight of 184.11 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 12509181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).