1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone

C5H5F3O3 — CID 45080734

IUPAC1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(C1OCCO1)C(F)(F)F
InChIInChI=1S/C5H5F3O3/c6-5(7,8)3(9)4-10-1-2-11-4/h4H,1-2H2
InChIKeyVQRLNOZAEUFZCX-UHFFFAOYSA-N
MW170.09 g/mol
LogP0.49
Rot. Bonds1

About 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone

1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone (PubChem CID 45080734) has the molecular formula C5H5F3O3 and a molecular weight of 170.09 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone
PubChem CID45080734
Molecular FormulaC5H5F3O3
Molecular Weight170.09 g/mol
Exact Mass170.02
IUPAC Name1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(C1OCCO1)C(F)(F)F
InChIInChI=1S/C5H5F3O3/c6-5(7,8)3(9)4-10-1-2-11-4/h4H,1-2H2
InChIKeyVQRLNOZAEUFZCX-UHFFFAOYSA-N
XLogP0.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.09
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone (CID 45080734) is 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone is O=C(C1OCCO1)C(F)(F)F.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is VQRLNOZAEUFZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3O3/c6-5(7,8)3(9)4-10-1-2-11-4/h4H,1-2H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone?
1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 170.09 g/mol, XLogP of 0.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 45080734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).