methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate

C9H15FO4S — CID 107776691

IUPACmethyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CCF)CC1
InChIInChI=1S/C9H15FO4S/c1-14-8(11)6-9(2-3-9)7-15(12,13)5-4-10/h2-7H2,1H3
InChIKeyVCXTXPGISNTQFQ-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.71
Rot. Bonds6

About methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate

methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate (PubChem CID 107776691) has the molecular formula C9H15FO4S and a molecular weight of 238.28 g/mol. Its IUPAC name is methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate
PubChem CID107776691
Molecular FormulaC9H15FO4S
Molecular Weight238.28 g/mol
Exact Mass238.07
IUPAC Namemethyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CCF)CC1
InChIInChI=1S/C9H15FO4S/c1-14-8(11)6-9(2-3-9)7-15(12,13)5-4-10/h2-7H2,1H3
InChIKeyVCXTXPGISNTQFQ-UHFFFAOYSA-N
XLogP0.71
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-[1-(2-fluoroethylsulfonylmethyl)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

methyl 1-[(3S)-3-fluorobutan-2-yl]sulfonylcyclopropane-1-carboxylate
CID 174102314
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-(2,2-Difluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442924
2-[1-[2-(Trifluoromethoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65805634
Methyl 2-{1-[(fluorosulfonyl)methyl]cyclopropyl}acetate
CID 73994752
2-[1-(2-Fluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 80694876
2-[1-(3-Fluoropropylsulfonylmethyl)cyclopropyl]acetic acid
CID 81105933
Methyl 3-fluoro-4-methyl-1,1-dioxothiane-4-carboxylate
CID 84789665
Methyl 4-fluoro-3-methyl-1,1-dioxothiane-3-carboxylate
CID 84789667
Methyl 3,3-difluoro-4-methyl-1,1-dioxothiane-4-carboxylate
CID 84801614

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate (CID 107776691) is methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)CCF)CC1.
What is the InChIKey of methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate?
The InChIKey is VCXTXPGISNTQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO4S/c1-14-8(11)6-9(2-3-9)7-15(12,13)5-4-10/h2-7H2,1H3.
What are the key properties of methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate?
methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate has a molecular weight of 238.28 g/mol, XLogP of 0.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-fluoroethylsulfonylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).