3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C14H15F2NO4 — CID 64835785

IUPAC3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C14H15F2NO4/c1-14(2)9(10(14)12(19)20)11(18)17-7-4-3-5-8(6-7)21-13(15)16/h3-6,9-10,13H,1-2H3,(H,17,18)(H,19,20)
InChIKeyCIAJUAYWFKHSRH-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.58
Rot. Bonds5

About 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64835785) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64835785
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C14H15F2NO4/c1-14(2)9(10(14)12(19)20)11(18)17-7-4-3-5-8(6-7)21-13(15)16/h3-6,9-10,13H,1-2H3,(H,17,18)(H,19,20)
InChIKeyCIAJUAYWFKHSRH-UHFFFAOYSA-N
XLogP2.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64835785) is 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is CIAJUAYWFKHSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c1-14(2)9(10(14)12(19)20)11(18)17-7-4-3-5-8(6-7)21-13(15)16/h3-6,9-10,13H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 299.27 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(difluoromethoxy)phenyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).