methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate

C10H15F3O4S — CID 107776714

IUPACmethyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O4S/c1-17-8(14)6-9(2-3-9)7-18(15,16)5-4-10(11,12)13/h2-7H2,1H3
InChIKeyMJQDTJGNXBHCEJ-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.70
Rot. Bonds6

About methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate

methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate (PubChem CID 107776714) has the molecular formula C10H15F3O4S and a molecular weight of 288.29 g/mol. Its IUPAC name is methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate
PubChem CID107776714
Molecular FormulaC10H15F3O4S
Molecular Weight288.29 g/mol
Exact Mass288.06
IUPAC Namemethyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C10H15F3O4S/c1-17-8(14)6-9(2-3-9)7-18(15,16)5-4-10(11,12)13/h2-7H2,1H3
InChIKeyMJQDTJGNXBHCEJ-UHFFFAOYSA-N
XLogP1.70
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Methyl-2-trifluoromethanesulfonylmethyl-pentanoic acid methyl ester
CID 23573232
Methyl 5,5,5-trifluoro-2-(3,3,3-trifluoropropylsulfonyl)pentanoate
CID 57425796
Methyl 5,5,5-trifluoro-2-(3,3,4,4,4-pentafluorobutylsulfonyl)pentanoate
CID 57788374
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate (CID 107776714) is methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)CCC(F)(F)F)CC1.
What is the InChIKey of methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate?
The InChIKey is MJQDTJGNXBHCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O4S/c1-17-8(14)6-9(2-3-9)7-18(15,16)5-4-10(11,12)13/h2-7H2,1H3.
What are the key properties of methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate?
methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate has a molecular weight of 288.29 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3,3,3-trifluoropropylsulfonylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).