2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid

C8H10F3NO3 — CID 79846628

IUPAC2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(15)12-7(2-1-3-7)4-5(13)14/h1-4H2,(H,12,15)(H,13,14)
InChIKeyVPARMJFHGXDNMK-UHFFFAOYSA-N
MW225.17 g/mol
LogP1.06
Rot. Bonds3

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

2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid (PubChem CID 79846628) has the molecular formula C8H10F3NO3 and a molecular weight of 225.17 g/mol. Its IUPAC name is 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
PubChem CID79846628
Molecular FormulaC8H10F3NO3
Molecular Weight225.17 g/mol
Exact Mass225.06
IUPAC Name2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(F)(F)F)CCC1
InChIInChI=1S/C8H10F3NO3/c9-8(10,11)6(15)12-7(2-1-3-7)4-5(13)14/h1-4H2,(H,12,15)(H,13,14)
InChIKeyVPARMJFHGXDNMK-UHFFFAOYSA-N
XLogP1.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid (CID 79846628) is 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)C(F)(F)F)CCC1.
What is the InChIKey of 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid?
The InChIKey is VPARMJFHGXDNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3/c9-8(10,11)6(15)12-7(2-1-3-7)4-5(13)14/h1-4H2,(H,12,15)(H,13,14).
What are the key properties of 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid?
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid has a molecular weight of 225.17 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2,2-trifluoroacetyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79846628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).