ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate

C10H14F2O4S — CID 146442008

IUPACethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C10H14F2O4S/c1-2-16-8(13)9(3-4-9)17(14,15)7-5-10(11,12)6-7/h7H,2-6H2,1H3
InChIKeyWXIJHFHDWVJLHR-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.29
Rot. Bonds4

About ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate

ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate (PubChem CID 146442008) has the molecular formula C10H14F2O4S and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
PubChem CID146442008
Molecular FormulaC10H14F2O4S
Molecular Weight268.28 g/mol
Exact Mass268.06
IUPAC Nameethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate
SMILESCCOC(=O)C1(S(=O)(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C10H14F2O4S/c1-2-16-8(13)9(3-4-9)17(14,15)7-5-10(11,12)6-7/h7H,2-6H2,1H3
InChIKeyWXIJHFHDWVJLHR-UHFFFAOYSA-N
XLogP1.29
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-(3,3,3-trifluoropropylsulfonyl)propanoate
CID 57425781
2-Methyl-2-(3,3,3-trifluoro-propane-1-sulfonyl)-propionic acid ethyl ester
CID 59253216
2-Methyl-2-(4,4,4-trifluoro-butane-1-sulfonyl)-propionic acid ethyl ester
CID 59253285
Ethyl 1-(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
CID 68672640
Ethyl 2-(3,3,4,4,4-Pentafluoro-butane-1-sulfonyl)-4-trifluoromethylsulfanyl-butyrate
CID 86673269
Ethyl 2-methyl-2-(3,3,4,4,4-pentafluorobutylsulfonyl)-4-(trifluoromethylsulfanyl)butanoate
CID 87315492
Ethyl 2,3-bis(trifluoromethylsulfonyl)cyclopropane-1-carboxylate
CID 87464261
Ethyl 2-(4,4-difluorobutylsulfonyl)-2-methylpropanoate
CID 91102073
(2,3,3-Trifluoro-3-methylsulfonylpropyl) butanoate
CID 118032997
Butyl 2-(3,3,3-trifluoropropylsulfonyl)acetate
CID 123478476
[3,3,3-Trifluoro-1-(trifluoromethylsulfonyl)propyl] cyclopropanecarboxylate
CID 140566975
Ethyl 2-(3,3-difluorocyclobutyl)sulfonylacetate
CID 146441810

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate (CID 146442008) is ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate is CCOC(=O)C1(S(=O)(=O)C2CC(F)(F)C2)CC1.
What is the InChIKey of ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate?
The InChIKey is WXIJHFHDWVJLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O4S/c1-2-16-8(13)9(3-4-9)17(14,15)7-5-10(11,12)6-7/h7H,2-6H2,1H3.
What are the key properties of ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate?
ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate has a molecular weight of 268.28 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3,3-difluorocyclobutyl)sulfonylcyclopropane-1-carboxylate is sourced from PubChem (CID 146442008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).