2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid

C9H13F3N2O3 — CID 79846733

IUPAC2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-7(17)14-8(2-1-3-8)4-6(15)16/h1-5H2,(H,15,16)(H2,13,14,17)
InChIKeyZFPQHSORTSUQIR-UHFFFAOYSA-N
MW254.21 g/mol
LogP1.25
Rot. Bonds4

About 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid

2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid (PubChem CID 79846733) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid
PubChem CID79846733
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)NCC(F)(F)F)CCC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-7(17)14-8(2-1-3-8)4-6(15)16/h1-5H2,(H,15,16)(H2,13,14,17)
InChIKeyZFPQHSORTSUQIR-UHFFFAOYSA-N
XLogP1.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid (CID 79846733) is 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)NCC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid?
The InChIKey is ZFPQHSORTSUQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)5-13-7(17)14-8(2-1-3-8)4-6(15)16/h1-5H2,(H,15,16)(H2,13,14,17).
What are the key properties of 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid?
2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid has a molecular weight of 254.21 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethylcarbamoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79846733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).