2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid

C8H11F3O4S — CID 65441743

IUPAC2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H11F3O4S/c9-8(10,11)5-16(14,15)4-7(1-2-7)3-6(12)13/h1-5H2,(H,12,13)
InChIKeyOPZPSDVXSBELBV-UHFFFAOYSA-N
MW260.23 g/mol
LogP1.22
Rot. Bonds5

About 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid

2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 65441743) has the molecular formula C8H11F3O4S and a molecular weight of 260.23 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID65441743
Molecular FormulaC8H11F3O4S
Molecular Weight260.23 g/mol
Exact Mass260.03
IUPAC Name2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)CC(F)(F)F)CC1
InChIInChI=1S/C8H11F3O4S/c9-8(10,11)5-16(14,15)4-7(1-2-7)3-6(12)13/h1-5H2,(H,12,13)
InChIKeyOPZPSDVXSBELBV-UHFFFAOYSA-N
XLogP1.22
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetate
CID 107776669
2-[1-(cyanomethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65442523
2-[1-(2-ethylbutylsulfonylmethyl)cyclopropyl]acetic acid
CID 82927078
2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443307
2-[1-(2-methoxyethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443321
2-[1-[2-(3-methylbutoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65444116
2-[1-(pyrimidin-2-ylmethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443713
2-[1-(chloromethyl)cyclopropyl]acetic acid
CID 55302932
2-[1-[(2,4,6-trimethylphenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65442129
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
2-[1-[(3,4-dichlorophenyl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65443709
2-[1-[(1-propan-2-ylpyrazol-3-yl)methylsulfonylmethyl]cyclopropyl]acetic acid
CID 65442521

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid (CID 65441743) is 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)(=O)CC(F)(F)F)CC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is OPZPSDVXSBELBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O4S/c9-8(10,11)5-16(14,15)4-7(1-2-7)3-6(12)13/h1-5H2,(H,12,13).
What are the key properties of 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 260.23 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65441743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).