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

C11H16F3NO3 — CID 54875561

IUPAC2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-6(2)4-15(5-11(12,13)14)9(16)7-3-8(7)10(17)18/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyGTXVVXPTOZMKHN-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.75
Rot. Bonds5

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

2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54875561) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54875561
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)CN(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C11H16F3NO3/c1-6(2)4-15(5-11(12,13)14)9(16)7-3-8(7)10(17)18/h6-8H,3-5H2,1-2H3,(H,17,18)
InChIKeyGTXVVXPTOZMKHN-UHFFFAOYSA-N
XLogP1.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 54875561) is 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C)CN(CC(F)(F)F)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is GTXVVXPTOZMKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c1-6(2)4-15(5-11(12,13)14)9(16)7-3-8(7)10(17)18/h6-8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54875561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).