2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

C11H9F2NO3 — CID 3827524

IUPAC2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)
InChIKeyQTWGHTBKFVANGX-UHFFFAOYSA-N
MW241.19 g/mol
LogP1.62
Rot. Bonds3

About 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 3827524) has the molecular formula C11H9F2NO3 and a molecular weight of 241.19 g/mol. Its IUPAC name is 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID3827524
Molecular FormulaC11H9F2NO3
Molecular Weight241.19 g/mol
Exact Mass241.06
IUPAC Name2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)
InChIKeyQTWGHTBKFVANGX-UHFFFAOYSA-N
XLogP1.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.19
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 3827524) is 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is QTWGHTBKFVANGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17).
What are the key properties of 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 241.19 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 3827524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).