2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid

C9H12F3NO3 — CID 79848465

IUPAC2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC(F)(F)F)CCC1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)4-6(14)13-8(2-1-3-8)5-7(15)16/h1-5H2,(H,13,14)(H,15,16)
InChIKeyKZTLHBFAUSGKDJ-UHFFFAOYSA-N
MW239.19 g/mol
LogP1.45
Rot. Bonds4

About 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid

2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid (PubChem CID 79848465) has the molecular formula C9H12F3NO3 and a molecular weight of 239.19 g/mol. Its IUPAC name is 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid
PubChem CID79848465
Molecular FormulaC9H12F3NO3
Molecular Weight239.19 g/mol
Exact Mass239.08
IUPAC Name2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)CC(F)(F)F)CCC1
InChIInChI=1S/C9H12F3NO3/c10-9(11,12)4-6(14)13-8(2-1-3-8)5-7(15)16/h1-5H2,(H,13,14)(H,15,16)
InChIKeyKZTLHBFAUSGKDJ-UHFFFAOYSA-N
XLogP1.45
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid?
The IUPAC name of 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid (CID 79848465) is 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)CC(F)(F)F)CCC1.
What is the InChIKey of 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid?
The InChIKey is KZTLHBFAUSGKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3/c10-9(11,12)4-6(14)13-8(2-1-3-8)5-7(15)16/h1-5H2,(H,13,14)(H,15,16).
What are the key properties of 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid?
2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid has a molecular weight of 239.19 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,3,3-trifluoropropanoylamino)cyclobutyl]acetic acid is sourced from PubChem (CID 79848465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).