1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid

C10H14F3NO3 — CID 62096469

IUPAC1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H14F3NO3/c1-2-14(6-10(11,12)13)7(15)9(8(16)17)4-3-5-9/h2-6H2,1H3,(H,16,17)
InChIKeyDTUCZOARHGGUFZ-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.65
Rot. Bonds4

About 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid

1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 62096469) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID62096469
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)C1(C(=O)O)CCC1
InChIInChI=1S/C10H14F3NO3/c1-2-14(6-10(11,12)13)7(15)9(8(16)17)4-3-5-9/h2-6H2,1H3,(H,16,17)
InChIKeyDTUCZOARHGGUFZ-UHFFFAOYSA-N
XLogP1.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 62096469) is 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is CCN(CC(F)(F)F)C(=O)C1(C(=O)O)CCC1.
What is the InChIKey of 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is DTUCZOARHGGUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-2-14(6-10(11,12)13)7(15)9(8(16)17)4-3-5-9/h2-6H2,1H3,(H,16,17).
What are the key properties of 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).