methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate

C10H15F3O5S — CID 107776722

IUPACmethyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O5S/c1-17-8(14)4-9(2-3-9)6-19(15,16)7-18-5-10(11,12)13/h2-7H2,1H3
InChIKeyKULIXMLMTWKTNQ-UHFFFAOYSA-N
MW304.29 g/mol
LogP1.28
Rot. Bonds7

About methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate

methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate (PubChem CID 107776722) has the molecular formula C10H15F3O5S and a molecular weight of 304.29 g/mol. Its IUPAC name is methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate
PubChem CID107776722
Molecular FormulaC10H15F3O5S
Molecular Weight304.29 g/mol
Exact Mass304.06
IUPAC Namemethyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)COCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O5S/c1-17-8(14)4-9(2-3-9)6-19(15,16)7-18-5-10(11,12)13/h2-7H2,1H3
InChIKeyKULIXMLMTWKTNQ-UHFFFAOYSA-N
XLogP1.28
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-trifluoromethanesulfonylmethyl-pentanoic acid methyl ester
CID 23573232
Methyl 3,3-difluoro-2,2,4-trimethyl-4-methylsulfonylpentanoate
CID 169922758
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65441338
2-[1-(2,2,2-Trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65441743
2-[1-(3,3,3-Trifluoropropylsulfonylmethyl)cyclopropyl]acetic acid
CID 65441935
2-[1-(Difluoromethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442134
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylsulfinylmethyl]cyclopropyl]acetic acid
CID 65442549
2-[1-(Trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442917
2-[1-(2,2-Difluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442924
2-[1-[3-(2,2,2-Trifluoroethoxy)propylsulfonylmethyl]cyclopropyl]acetic acid
CID 65443919
2-[1-[2-(Trifluoromethoxy)ethylsulfinylmethyl]cyclopropyl]acetic acid
CID 65805257
2-[1-[2-(Trifluoromethoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65805634

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate (CID 107776722) is methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)COCC(F)(F)F)CC1.
What is the InChIKey of methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate?
The InChIKey is KULIXMLMTWKTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O5S/c1-17-8(14)4-9(2-3-9)6-19(15,16)7-18-5-10(11,12)13/h2-7H2,1H3.
What are the key properties of methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate?
methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate has a molecular weight of 304.29 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2,2,2-trifluoroethoxymethylsulfonylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).