3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C13H14FNO3 — CID 64834990

IUPAC3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-13(2)9(10(13)12(17)18)11(16)15-8-5-3-7(14)4-6-8/h3-6,9-10H,1-2H3,(H,15,16)(H,17,18)
InChIKeySXDFCTDIZIZPGU-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.12
Rot. Bonds3

About 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64834990) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64834990
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C13H14FNO3/c1-13(2)9(10(13)12(17)18)11(16)15-8-5-3-7(14)4-6-8/h3-6,9-10H,1-2H3,(H,15,16)(H,17,18)
InChIKeySXDFCTDIZIZPGU-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64834990) is 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is SXDFCTDIZIZPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-13(2)9(10(13)12(17)18)11(16)15-8-5-3-7(14)4-6-8/h3-6,9-10H,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64834990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).