1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid

C6H6F3NO3 — CID 12988800

IUPAC1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)3(11)10-5(1-2-5)4(12)13/h1-2H2,(H,10,11)(H,12,13)
InChIKeyZWFYYKVOJQHLTH-UHFFFAOYSA-N
MW197.11 g/mol
LogP0.28
Rot. Bonds2

About 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid

1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 12988800) has the molecular formula C6H6F3NO3 and a molecular weight of 197.11 g/mol. Its IUPAC name is 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid
PubChem CID12988800
Molecular FormulaC6H6F3NO3
Molecular Weight197.11 g/mol
Exact Mass197.03
IUPAC Name1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C6H6F3NO3/c7-6(8,9)3(11)10-5(1-2-5)4(12)13/h1-2H2,(H,10,11)(H,12,13)
InChIKeyZWFYYKVOJQHLTH-UHFFFAOYSA-N
XLogP0.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid (CID 12988800) is 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is ZWFYYKVOJQHLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO3/c7-6(8,9)3(11)10-5(1-2-5)4(12)13/h1-2H2,(H,10,11)(H,12,13).
What are the key properties of 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid?
1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 197.11 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2,2-trifluoroacetyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 12988800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).