2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid

C8H10F3NO3 — CID 60890789

IUPAC2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C8H10F3NO3/c1-12(3-8(9,10)11)6(13)4-2-5(4)7(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyUUDHFMWOZANVGH-UHFFFAOYSA-N
MW225.17 g/mol
LogP0.73
Rot. Bonds3

About 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60890789) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60890789
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C8H10F3NO3/c1-12(3-8(9,10)11)6(13)4-2-5(4)7(14)15/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyUUDHFMWOZANVGH-UHFFFAOYSA-N
XLogP0.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60890789) is 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is CN(CC(F)(F)F)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UUDHFMWOZANVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c1-12(3-8(9,10)11)6(13)4-2-5(4)7(14)15/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 225.17 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60890789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).