2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid

C8H8F6O6S2 — CID 87352988

IUPAC2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F6O6S2/c9-7(10,11)21(17,18)5(22(19,20)8(12,13)14)2-3-1-4(3)6(15)16/h3-5H,1-2H2,(H,15,16)
InChIKeyVINKUKIGHMCWGV-UHFFFAOYSA-N
MW378.27 g/mol
LogP1.29
Rot. Bonds5

About 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid

2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid (PubChem CID 87352988) has the molecular formula C8H8F6O6S2 and a molecular weight of 378.27 g/mol. Its IUPAC name is 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid
PubChem CID87352988
Molecular FormulaC8H8F6O6S2
Molecular Weight378.27 g/mol
Exact Mass377.97
IUPAC Name2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H8F6O6S2/c9-7(10,11)21(17,18)5(22(19,20)8(12,13)14)2-3-1-4(3)6(15)16/h3-5H,1-2H2,(H,15,16)
InChIKeyVINKUKIGHMCWGV-UHFFFAOYSA-N
XLogP1.29
TPSA105.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid (CID 87352988) is 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1CC(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid?
The InChIKey is VINKUKIGHMCWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O6S2/c9-7(10,11)21(17,18)5(22(19,20)8(12,13)14)2-3-1-4(3)6(15)16/h3-5H,1-2H2,(H,15,16).
What are the key properties of 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid?
2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid has a molecular weight of 378.27 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(trifluoromethylsulfonyl)ethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 87352988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).