trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid

C11H12FNO2 — CID 11344819

IUPACtrans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
SMILESNC[C@@]1(C(=O)O)C[C@@]1(F)c1ccccc1
InChIInChI=1S/C11H12FNO2/c12-11(8-4-2-1-3-5-8)6-10(11,7-13)9(14)15/h1-5H,6-7,13H2,(H,14,15)/t10-,11-/m1/s1
InChIKeyIEOXLICRGATAAG-GHMZBOCLSA-N
MW209.22 g/mol
LogP1.28
Rot. Bonds3

About trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid

trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid (PubChem CID 11344819) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
PubChem CID11344819
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Nametrans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid
SMILESNC[C@@]1(C(=O)O)C[C@@]1(F)c1ccccc1
InChIInChI=1S/C11H12FNO2/c12-11(8-4-2-1-3-5-8)6-10(11,7-13)9(14)15/h1-5H,6-7,13H2,(H,14,15)/t10-,11-/m1/s1
InChIKeyIEOXLICRGATAAG-GHMZBOCLSA-N
XLogP1.28
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid (CID 11344819) is trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid is NC[C@@]1(C(=O)O)C[C@@]1(F)c1ccccc1.
What is the InChIKey of trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
The InChIKey is IEOXLICRGATAAG-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-11(8-4-2-1-3-5-8)6-10(11,7-13)9(14)15/h1-5H,6-7,13H2,(H,14,15)/t10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid has a molecular weight of 209.22 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-(aminomethyl)-2-fluoro-2-phenylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 11344819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).