cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

C11H10F3NO2 — CID 95002534

IUPACcis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-4-2-1-3-6(7)8-5-10(8,15)9(16)17/h1-4,8H,5,15H2,(H,16,17)/t8-,10-/m0/s1
InChIKeyXDKYMXKEARMIFI-WPRPVWTQSA-N
MW245.20 g/mol
LogP1.97
Rot. Bonds2

About cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid

cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 95002534) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID95002534
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Namecis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid
SMILESN[C@@]1(C(=O)O)C[C@H]1c1ccccc1C(F)(F)F
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)7-4-2-1-3-6(7)8-5-10(8,15)9(16)17/h1-4,8H,5,15H2,(H,16,17)/t8-,10-/m0/s1
InChIKeyXDKYMXKEARMIFI-WPRPVWTQSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid (CID 95002534) is cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid is N[C@@]1(C(=O)O)C[C@H]1c1ccccc1C(F)(F)F.
What is the InChIKey of cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is XDKYMXKEARMIFI-WPRPVWTQSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)7-4-2-1-3-6(7)8-5-10(8,15)9(16)17/h1-4,8H,5,15H2,(H,16,17)/t8-,10-/m0/s1.
What are the key properties of cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid?
cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 245.20 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-1-amino-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 95002534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).