2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid

C7H9F3O4S — CID 65442917

IUPAC2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O4S/c8-7(9,10)15(13,14)4-6(1-2-6)3-5(11)12/h1-4H2,(H,11,12)
InChIKeyWWDSVAWIUURFAN-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid

2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 65442917) has the molecular formula C7H9F3O4S and a molecular weight of 246.21 g/mol. Its IUPAC name is 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID65442917
Molecular FormulaC7H9F3O4S
Molecular Weight246.21 g/mol
Exact Mass246.02
IUPAC Name2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)C(F)(F)F)CC1
InChIInChI=1S/C7H9F3O4S/c8-7(9,10)15(13,14)4-6(1-2-6)3-5(11)12/h1-4H2,(H,11,12)
InChIKeyWWDSVAWIUURFAN-UHFFFAOYSA-N
XLogP1.18
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-2-(trifluoromethylsulfonyl)pentanoic acid
CID 18374666
(2S,3R)-3-methyl-2-(trifluoromethylsulfonyl)pentanoic acid
CID 21341066
(2S,3S)-3-methyl-2-(trifluoromethylsulfonyl)pentanoic acid
CID 21341067
(2S)-3,3-dimethyl-2-(trifluoromethylsulfonyl)butanoic acid
CID 21341070
4-Methyl-2-(trifluoromethylsulfonyl)pentanoic acid
CID 57055231
(3S)-3-methyl-2-(trifluoromethylsulfonyl)pentanoic acid
CID 88151055
(3R)-3-methyl-2-(trifluoromethylsulfonyl)pentanoic acid
CID 88151260
3,3-Dimethyl-2-(trifluoromethylsulfonyl)butanoic acid
CID 18374701
2-[1-[2-(2,2,2-Trifluoroethoxy)ethylsulfonylmethyl]cyclopropyl]acetic acid
CID 65441338
2-[1-(Trifluoromethylsulfinylmethyl)cyclopropyl]acetic acid
CID 65441564
2-[1-(2,2,2-Trifluoroethylsulfonylmethyl)cyclopropyl]acetic acid
CID 65441743
2-[1-(3,3,3-Trifluoropropylsulfonylmethyl)cyclopropyl]acetic acid
CID 65441935

Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid (CID 65442917) is 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is WWDSVAWIUURFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O4S/c8-7(9,10)15(13,14)4-6(1-2-6)3-5(11)12/h1-4H2,(H,11,12).
What are the key properties of 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 246.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65442917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).