[2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate

C9H10F4O5 — CID 156841884

IUPAC[2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate
SMILESCC1OC[C@@H](C(=O)COC(=O)C(F)C(F)(F)F)O1
InChIInChI=1S/C9H10F4O5/c1-4-16-3-6(18-4)5(14)2-17-8(15)7(10)9(11,12)13/h4,6-7H,2-3H2,1H3/t4?,6-,7?/m0/s1
InChIKeyHXENVSPLANNQIS-FSTBSXBUSA-N
MW274.17 g/mol
LogP0.76
Rot. Bonds4

About [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate

[2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate (PubChem CID 156841884) has the molecular formula C9H10F4O5 and a molecular weight of 274.17 g/mol. Its IUPAC name is [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate.

Molecular Properties

Compound Name[2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate
PubChem CID156841884
Molecular FormulaC9H10F4O5
Molecular Weight274.17 g/mol
Exact Mass274.05
IUPAC Name[2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate
SMILESCC1OC[C@@H](C(=O)COC(=O)C(F)C(F)(F)F)O1
InChIInChI=1S/C9H10F4O5/c1-4-16-3-6(18-4)5(14)2-17-8(15)7(10)9(11,12)13/h4,6-7H,2-3H2,1H3/t4?,6-,7?/m0/s1
InChIKeyHXENVSPLANNQIS-FSTBSXBUSA-N
XLogP0.76
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate?
The IUPAC name of [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate (CID 156841884) is [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate.
What is the SMILES notation for [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate?
The canonical SMILES for [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate is CC1OC[C@@H](C(=O)COC(=O)C(F)C(F)(F)F)O1.
What is the InChIKey of [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate?
The InChIKey is HXENVSPLANNQIS-FSTBSXBUSA-N. The full InChI is InChI=1S/C9H10F4O5/c1-4-16-3-6(18-4)5(14)2-17-8(15)7(10)9(11,12)13/h4,6-7H,2-3H2,1H3/t4?,6-,7?/m0/s1.
What are the key properties of [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate?
[2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate has a molecular weight of 274.17 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-2-methyl-1,3-dioxolan-4-yl]-2-oxoethyl] 2,3,3,3-tetrafluoropropanoate is sourced from PubChem (CID 156841884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).