[(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate

C10H17FO2S — CID 129300100

IUPAC[(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@@H]1C[C@H](F)CS1
InChIInChI=1S/C10H17FO2S/c1-10(2,3)9(12)13-5-8-4-7(11)6-14-8/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyCMGPMZGUYGRYPL-YUMQZZPRSA-N
MW220.31 g/mol
LogP2.42
Rot. Bonds2

About [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate

[(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate (PubChem CID 129300100) has the molecular formula C10H17FO2S and a molecular weight of 220.31 g/mol. Its IUPAC name is [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate
PubChem CID129300100
Molecular FormulaC10H17FO2S
Molecular Weight220.31 g/mol
Exact Mass220.09
IUPAC Name[(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[C@@H]1C[C@H](F)CS1
InChIInChI=1S/C10H17FO2S/c1-10(2,3)9(12)13-5-8-4-7(11)6-14-8/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1
InChIKeyCMGPMZGUYGRYPL-YUMQZZPRSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate?
The IUPAC name of [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate (CID 129300100) is [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate.
What is the SMILES notation for [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate?
The canonical SMILES for [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[C@@H]1C[C@H](F)CS1.
What is the InChIKey of [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate?
The InChIKey is CMGPMZGUYGRYPL-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17FO2S/c1-10(2,3)9(12)13-5-8-4-7(11)6-14-8/h7-8H,4-6H2,1-3H3/t7-,8-/m0/s1.
What are the key properties of [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate?
[(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate has a molecular weight of 220.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-fluorothiolan-2-yl]methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 129300100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).