1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane

C8H13F3O2S — CID 70905490

IUPAC1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane
SMILESCC1CC1(C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H13F3O2S/c1-6-5-7(6,2)14(12,13)4-3-8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyNENDXSXEPKHIKH-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.15
Rot. Bonds3

About 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane

1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane (PubChem CID 70905490) has the molecular formula C8H13F3O2S and a molecular weight of 230.25 g/mol. Its IUPAC name is 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane.

Molecular Properties

Compound Name1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane
PubChem CID70905490
Molecular FormulaC8H13F3O2S
Molecular Weight230.25 g/mol
Exact Mass230.06
IUPAC Name1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane
SMILESCC1CC1(C)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C8H13F3O2S/c1-6-5-7(6,2)14(12,13)4-3-8(9,10)11/h6H,3-5H2,1-2H3
InChIKeyNENDXSXEPKHIKH-UHFFFAOYSA-N
XLogP2.15
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane?
The IUPAC name of 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane (CID 70905490) is 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane.
What is the SMILES notation for 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane?
The canonical SMILES for 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane is CC1CC1(C)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane?
The InChIKey is NENDXSXEPKHIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O2S/c1-6-5-7(6,2)14(12,13)4-3-8(9,10)11/h6H,3-5H2,1-2H3.
What are the key properties of 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane?
1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane has a molecular weight of 230.25 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-(3,3,3-trifluoropropylsulfonyl)cyclopropane is sourced from PubChem (CID 70905490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).