2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

C11H10F3NO2 — CID 126602227

IUPAC2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESNc1ccc(C2CC2C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-3-5(1-2-9(8)15)6-4-7(6)10(16)17/h1-3,6-7H,4,15H2,(H,16,17)
InChIKeyVUFJRXRRKSVSBL-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.48
Rot. Bonds2

About 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 126602227) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID126602227
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESNc1ccc(C2CC2C(=O)O)cc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)8-3-5(1-2-9(8)15)6-4-7(6)10(16)17/h1-3,6-7H,4,15H2,(H,16,17)
InChIKeyVUFJRXRRKSVSBL-UHFFFAOYSA-N
XLogP2.48
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid (CID 126602227) is 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid is Nc1ccc(C2CC2C(=O)O)cc1C(F)(F)F.
What is the InChIKey of 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is VUFJRXRRKSVSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)8-3-5(1-2-9(8)15)6-4-7(6)10(16)17/h1-3,6-7H,4,15H2,(H,16,17).
What are the key properties of 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 245.20 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 126602227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).