2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid

C6H8F3NO2 — CID 75596236

IUPAC2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESNCC1C(C(=O)O)C1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-2(1-10)3(4)5(11)12/h2-4H,1,10H2,(H,11,12)
InChIKeyQRMRUBQKONXROC-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.45
Rot. Bonds2

About 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid

2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 75596236) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID75596236
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESNCC1C(C(=O)O)C1C(F)(F)F
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)4-2(1-10)3(4)5(11)12/h2-4H,1,10H2,(H,11,12)
InChIKeyQRMRUBQKONXROC-UHFFFAOYSA-N
XLogP0.45
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 75596236) is 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid is NCC1C(C(=O)O)C1C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is QRMRUBQKONXROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)4-2(1-10)3(4)5(11)12/h2-4H,1,10H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid?
2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 75596236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).