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

C7H10F2O4S — CID 65442134

IUPAC2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H10F2O4S/c8-6(9)14(12,13)4-7(1-2-7)3-5(10)11/h6H,1-4H2,(H,10,11)
InChIKeyFYYUHXYYNVEBGE-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.88
Rot. Bonds5

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

2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid (PubChem CID 65442134) has the molecular formula C7H10F2O4S and a molecular weight of 228.22 g/mol. Its IUPAC name is 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid
PubChem CID65442134
Molecular FormulaC7H10F2O4S
Molecular Weight228.22 g/mol
Exact Mass228.03
IUPAC Name2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(CS(=O)(=O)C(F)F)CC1
InChIInChI=1S/C7H10F2O4S/c8-6(9)14(12,13)4-7(1-2-7)3-5(10)11/h6H,1-4H2,(H,10,11)
InChIKeyFYYUHXYYNVEBGE-UHFFFAOYSA-N
XLogP0.88
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.88
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-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid (CID 65442134) is 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid is O=C(O)CC1(CS(=O)(=O)C(F)F)CC1.
What is the InChIKey of 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid?
The InChIKey is FYYUHXYYNVEBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O4S/c8-6(9)14(12,13)4-7(1-2-7)3-5(10)11/h6H,1-4H2,(H,10,11).
What are the key properties of 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid?
2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid has a molecular weight of 228.22 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethylsulfonylmethyl)cyclopropyl]acetic acid is sourced from PubChem (CID 65442134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).