2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid

C11H15F2NO3 — CID 120976020

IUPAC2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N(CC(F)F)C1CC1
InChIInChI=1S/C11H15F2NO3/c12-9(13)5-14(6-1-2-6)10(15)7-3-4-8(7)11(16)17/h6-9H,1-5H2,(H,16,17)
InChIKeyRSFZKBZBQNROKO-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.35
Rot. Bonds5

About 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976020) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976020
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)N(CC(F)F)C1CC1
InChIInChI=1S/C11H15F2NO3/c12-9(13)5-14(6-1-2-6)10(15)7-3-4-8(7)11(16)17/h6-9H,1-5H2,(H,16,17)
InChIKeyRSFZKBZBQNROKO-UHFFFAOYSA-N
XLogP1.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120976020) is 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)N(CC(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is RSFZKBZBQNROKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO3/c12-9(13)5-14(6-1-2-6)10(15)7-3-4-8(7)11(16)17/h6-9H,1-5H2,(H,16,17).
What are the key properties of 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 247.24 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2-difluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).