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

C12H16F3NO3 — CID 54874781

IUPAC2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C12H16F3NO3/c1-6(7-2-3-7)16(5-12(13,14)15)10(17)8-4-9(8)11(18)19/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyTZPUPFASZOAOHC-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.90
Rot. Bonds5

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

2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54874781) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54874781
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C12H16F3NO3/c1-6(7-2-3-7)16(5-12(13,14)15)10(17)8-4-9(8)11(18)19/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyTZPUPFASZOAOHC-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 54874781) is 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C1CC1)N(CC(F)(F)F)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is TZPUPFASZOAOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-6(7-2-3-7)16(5-12(13,14)15)10(17)8-4-9(8)11(18)19/h6-9H,2-5H2,1H3,(H,18,19).
What are the key properties of 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 279.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54874781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).