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

C8H11F2NO3 — CID 103513389

IUPAC2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(F)F)CCC1
InChIInChI=1S/C8H11F2NO3/c9-6(10)7(14)11-8(2-1-3-8)4-5(12)13/h6H,1-4H2,(H,11,14)(H,12,13)
InChIKeyWFJBHLPLUXSKLQ-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.77
Rot. Bonds4

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

2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid (PubChem CID 103513389) has the molecular formula C8H11F2NO3 and a molecular weight of 207.18 g/mol. Its IUPAC name is 2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid
PubChem CID103513389
Molecular FormulaC8H11F2NO3
Molecular Weight207.18 g/mol
Exact Mass207.07
IUPAC Name2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid
SMILESO=C(O)CC1(NC(=O)C(F)F)CCC1
InChIInChI=1S/C8H11F2NO3/c9-6(10)7(14)11-8(2-1-3-8)4-5(12)13/h6H,1-4H2,(H,11,14)(H,12,13)
InChIKeyWFJBHLPLUXSKLQ-UHFFFAOYSA-N
XLogP0.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.77
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-difluoroacetyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid (CID 103513389) is 2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid is O=C(O)CC1(NC(=O)C(F)F)CCC1.
What is the InChIKey of 2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid?
The InChIKey is WFJBHLPLUXSKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3/c9-6(10)7(14)11-8(2-1-3-8)4-5(12)13/h6H,1-4H2,(H,11,14)(H,12,13).
What are the key properties of 2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid?
2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid has a molecular weight of 207.18 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,2-difluoroacetyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 103513389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).