1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane

C8H15FO2S — CID 123442037

IUPAC1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane
SMILESCC(C)CS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C8H15FO2S/c1-7(2)5-12(10,11)8(6-9)3-4-8/h7H,3-6H2,1-2H3
InChIKeyCLELYDIVQWQNAX-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.56
Rot. Bonds4

About 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane

1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane (PubChem CID 123442037) has the molecular formula C8H15FO2S and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane.

Molecular Properties

Compound Name1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane
PubChem CID123442037
Molecular FormulaC8H15FO2S
Molecular Weight194.27 g/mol
Exact Mass194.08
IUPAC Name1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane
SMILESCC(C)CS(=O)(=O)C1(CF)CC1
InChIInChI=1S/C8H15FO2S/c1-7(2)5-12(10,11)8(6-9)3-4-8/h7H,3-6H2,1-2H3
InChIKeyCLELYDIVQWQNAX-UHFFFAOYSA-N
XLogP1.56
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane?
The IUPAC name of 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane (CID 123442037) is 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane.
What is the SMILES notation for 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane?
The canonical SMILES for 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane is CC(C)CS(=O)(=O)C1(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane?
The InChIKey is CLELYDIVQWQNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2S/c1-7(2)5-12(10,11)8(6-9)3-4-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane?
1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane has a molecular weight of 194.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-1-(2-methylpropylsulfonyl)cyclopropane is sourced from PubChem (CID 123442037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).