2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid

C11H16F3NO4 — CID 64835064

IUPAC2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-10(2)6(7(10)9(17)18)8(16)15-3-4-19-5-11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLIWJMAMEQMYHGS-UHFFFAOYSA-N
MW283.25 g/mol
LogP1.04
Rot. Bonds6

About 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 64835064) has the molecular formula C11H16F3NO4 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID64835064
Molecular FormulaC11H16F3NO4
Molecular Weight283.25 g/mol
Exact Mass283.10
IUPAC Name2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3NO4/c1-10(2)6(7(10)9(17)18)8(16)15-3-4-19-5-11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyLIWJMAMEQMYHGS-UHFFFAOYSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid (CID 64835064) is 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LIWJMAMEQMYHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO4/c1-10(2)6(7(10)9(17)18)8(16)15-3-4-19-5-11(12,13)14/h6-7H,3-5H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 283.25 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).