1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone

C9H11F3O3 — CID 10889535

IUPAC1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone
SMILESC=C[C@H]1OC(C)(C)O[C@H]1C(=O)C(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-4-5-6(7(13)9(10,11)12)15-8(2,3)14-5/h4-6H,1H2,2-3H3/t5-,6-/m1/s1
InChIKeyWMDUYNMMOLVDSO-PHDIDXHHSA-N
MW224.18 g/mol
LogP1.82
Rot. Bonds2

About 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone

1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone (PubChem CID 10889535) has the molecular formula C9H11F3O3 and a molecular weight of 224.18 g/mol. Its IUPAC name is 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone
PubChem CID10889535
Molecular FormulaC9H11F3O3
Molecular Weight224.18 g/mol
Exact Mass224.07
IUPAC Name1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone
SMILESC=C[C@H]1OC(C)(C)O[C@H]1C(=O)C(F)(F)F
InChIInChI=1S/C9H11F3O3/c1-4-5-6(7(13)9(10,11)12)15-8(2,3)14-5/h4-6H,1H2,2-3H3/t5-,6-/m1/s1
InChIKeyWMDUYNMMOLVDSO-PHDIDXHHSA-N
XLogP1.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone with MolForge

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Related Compounds

(5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58451170
1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 59753780
1-(5-Ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl)propan-1-one
CID 72552905
5-Ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 76789554
(4R,5R)-2,2-diethyl-5-vinyl-1,3-dioxolane-4-carbaldehyde
CID 86657946
1-[(5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 126711987
1-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propane-1,2-dione
CID 141140439
1-((4R,5R)-2,2-dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethanone
CID 73014137
1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]propan-1-one
CID 101424996
1-(2,2-Dimethyl-5-vinyl-1,3-dioxolan-4-yl)ethanone
CID 129990620

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone (CID 10889535) is 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone is C=C[C@H]1OC(C)(C)O[C@H]1C(=O)C(F)(F)F.
What is the InChIKey of 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone?
The InChIKey is WMDUYNMMOLVDSO-PHDIDXHHSA-N. The full InChI is InChI=1S/C9H11F3O3/c1-4-5-6(7(13)9(10,11)12)15-8(2,3)14-5/h4-6H,1H2,2-3H3/t5-,6-/m1/s1.
What are the key properties of 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone?
1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone has a molecular weight of 224.18 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 10889535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).