1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane

C12H21FO3S — CID 167349956

IUPAC1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane
SMILESCCCCOCC1(S(=O)(=O)C2(CF)CC2)CC1
InChIInChI=1S/C12H21FO3S/c1-2-3-8-16-10-12(6-7-12)17(14,15)11(9-13)4-5-11/h2-10H2,1H3
InChIKeyALZUOIOAMXIBAM-UHFFFAOYSA-N
MW264.36 g/mol
LogP2.25
Rot. Bonds8

About 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane

1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane (PubChem CID 167349956) has the molecular formula C12H21FO3S and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane.

Molecular Properties

Compound Name1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane
PubChem CID167349956
Molecular FormulaC12H21FO3S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane
SMILESCCCCOCC1(S(=O)(=O)C2(CF)CC2)CC1
InChIInChI=1S/C12H21FO3S/c1-2-3-8-16-10-12(6-7-12)17(14,15)11(9-13)4-5-11/h2-10H2,1H3
InChIKeyALZUOIOAMXIBAM-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 52.25
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

1-(butoxymethyl)cyclopropane-1-sulfinic acid
CID 167349966
(6R,8S)-8-(butoxymethyl)-6-fluoro-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 169009488
2-[2-(2-butoxyethoxy)ethoxy]ethyl hydrogen sulfate
CID 150612301
2-[2-(2-butoxyethoxy)ethoxy]ethanesulfonyl fluoride
CID 165461040
butyl 1-[(2S)-2-hydroxypropyl]cyclopropane-1-sulfonate
CID 174703961
1-(2-butoxyethoxymethyl)cycloheptan-1-amine
CID 64548962
1-(3,3-dimethylbutoxymethyl)cyclopropane-1-sulfonyl chloride
CID 165495326
calcium;2-butoxyethyl hydrogen sulfate;hydride
CID 173344418
3-(butoxymethyl)-3-ethyloxetane;3,3-diethyloxetane
CID 160915976
bis[3-(2-butoxyethoxy)propyl] sulfate
CID 139845241
1-butoxyoctane;sulfuric acid;zinc
CID 175286221
2-(2-butoxyethoxy)ethyl ethanesulfonate
CID 139845349

Frequently Asked Questions

What is the IUPAC name of 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane?
The IUPAC name of 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane (CID 167349956) is 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane.
What is the SMILES notation for 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane?
The canonical SMILES for 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane is CCCCOCC1(S(=O)(=O)C2(CF)CC2)CC1.
What is the InChIKey of 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane?
The InChIKey is ALZUOIOAMXIBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21FO3S/c1-2-3-8-16-10-12(6-7-12)17(14,15)11(9-13)4-5-11/h2-10H2,1H3.
What are the key properties of 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane?
1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane has a molecular weight of 264.36 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butoxymethyl)-1-[1-(fluoromethyl)cyclopropyl]sulfonylcyclopropane is sourced from PubChem (CID 167349956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).