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

C10H17FO2S — CID 107775952

IUPACmethyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCCCF)CC1
InChIInChI=1S/C10H17FO2S/c1-13-9(12)7-10(3-4-10)8-14-6-2-5-11/h2-8H2,1H3
InChIKeyKMOGUVSSOMKROL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.42
Rot. Bonds7

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

methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate (PubChem CID 107775952) has the molecular formula C10H17FO2S and a molecular weight of 220.31 g/mol. Its IUPAC name is methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate
PubChem CID107775952
Molecular FormulaC10H17FO2S
Molecular Weight220.31 g/mol
Exact Mass220.09
IUPAC Namemethyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate
SMILESCOC(=O)CC1(CSCCCF)CC1
InChIInChI=1S/C10H17FO2S/c1-13-9(12)7-10(3-4-10)8-14-6-2-5-11/h2-8H2,1H3
InChIKeyKMOGUVSSOMKROL-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Methyl 1-((acetylthio)methyl)cyclopropaneacetate
CID 53482060
Methyl 2-(4-fluorobutylsulfanyl)-4-methylpentanoate
CID 87340174
Methyl 2-(5-fluoropentylsulfanyl)-4-methylpentanoate
CID 87340481
Methyl 2-(3-fluoropropylsulfanyl)-4-methylpentanoate
CID 87340640
Methyl 2-(4-fluoropentylsulfanyl)-4-methylpentanoate
CID 87341738
2-[1-(2-Fluoroethylsulfanylmethyl)cyclopropyl]acetic acid
CID 80699405
2-[1-(3-Fluoropropylsulfanylmethyl)cyclopropyl]acetic acid
CID 81106397
Methyl 4-(fluoromethyl)thiane-4-carboxylate
CID 83818157
Methyl 3-fluoro-4-methylthiane-4-carboxylate
CID 84772421
Methyl 4-fluoro-3-methylthiane-3-carboxylate
CID 84772423
Methyl 4-ethyl-3-fluorothiane-4-carboxylate
CID 84779161
Methyl 3-ethyl-4-fluorothiane-3-carboxylate
CID 84779163

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate (CID 107775952) is methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate is COC(=O)CC1(CSCCCF)CC1.
What is the InChIKey of methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate?
The InChIKey is KMOGUVSSOMKROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2S/c1-13-9(12)7-10(3-4-10)8-14-6-2-5-11/h2-8H2,1H3.
What are the key properties of methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate?
methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate has a molecular weight of 220.31 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-fluoropropylsulfanylmethyl)cyclopropyl]acetate is sourced from PubChem (CID 107775952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).