1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid

C11H10FNO3 — CID 67468239

IUPAC1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
SMILESNC(=O)C1(C(=O)O)CC1(F)c1ccccc1
InChIInChI=1S/C11H10FNO3/c12-11(7-4-2-1-3-5-7)6-10(11,8(13)14)9(15)16/h1-5H,6H2,(H2,13,14)(H,15,16)
InChIKeySOLLLZXURGOZFE-UHFFFAOYSA-N
MW223.20 g/mol
LogP0.81
Rot. Bonds3

About 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid

1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 67468239) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
PubChem CID67468239
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Name1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
SMILESNC(=O)C1(C(=O)O)CC1(F)c1ccccc1
InChIInChI=1S/C11H10FNO3/c12-11(7-4-2-1-3-5-7)6-10(11,8(13)14)9(15)16/h1-5H,6H2,(H2,13,14)(H,15,16)
InChIKeySOLLLZXURGOZFE-UHFFFAOYSA-N
XLogP0.81
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid (CID 67468239) is 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid is NC(=O)C1(C(=O)O)CC1(F)c1ccccc1.
What is the InChIKey of 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is SOLLLZXURGOZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c12-11(7-4-2-1-3-5-7)6-10(11,8(13)14)9(15)16/h1-5H,6H2,(H2,13,14)(H,15,16).
What are the key properties of 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 223.20 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoyl-2-fluoro-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 67468239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).