methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate

C10H17FO4S — CID 107776789

IUPACmethyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CCCF)CC1
InChIInChI=1S/C10H17FO4S/c1-15-9(12)7-10(3-4-10)8-16(13,14)6-2-5-11/h2-8H2,1H3
InChIKeyJJJPYEJVGMIWQT-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.10
Rot. Bonds7

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

methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate (PubChem CID 107776789) has the molecular formula C10H17FO4S and a molecular weight of 252.31 g/mol. Its IUPAC name is methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate
PubChem CID107776789
Molecular FormulaC10H17FO4S
Molecular Weight252.31 g/mol
Exact Mass252.08
IUPAC Namemethyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CS(=O)(=O)CCCF)CC1
InChIInChI=1S/C10H17FO4S/c1-15-9(12)7-10(3-4-10)8-16(13,14)6-2-5-11/h2-8H2,1H3
InChIKeyJJJPYEJVGMIWQT-UHFFFAOYSA-N
XLogP1.10
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3,3-difluoro-2,2,4-trimethyl-4-methylsulfonylpentanoate
CID 169922758
2-[1-[3-(2,2,2-Trifluoroethoxy)propylsulfonylmethyl]cyclopropyl]acetic acid
CID 65443919
2-[1-[2-(Trifluoromethoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65805634
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-1,1-dioxo-4-propylthiane-4-carboxylate
CID 84809116
Methyl 4-(2,2-dimethylpropyl)-3,3-difluoro-1,1-dioxothiane-4-carboxylate
CID 84816032
Methyl 2-(1,1-dioxothian-4-yl)-2-fluoroacetate
CID 105481727
Methyl 2-(3-fluoro-1,1-dioxothian-4-yl)acetate
CID 105530180
methyl 2-[(3S,4S)-3-fluoro-1,1-dioxothian-4-yl]acetate
CID 105531236

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate (CID 107776789) is methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate is COC(=O)CC1(CS(=O)(=O)CCCF)CC1.
What is the InChIKey of methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate?
The InChIKey is JJJPYEJVGMIWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO4S/c1-15-9(12)7-10(3-4-10)8-16(13,14)6-2-5-11/h2-8H2,1H3.
What are the key properties of methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate?
methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate has a molecular weight of 252.31 g/mol, XLogP of 1.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-fluoropropylsulfonylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107776789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).