cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate

C7H10F3NO2 — CID 11379297

IUPACcis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(N)C[C@@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-13-5(12)6(11)3-4(6)7(8,9)10/h4H,2-3,11H2,1H3/t4-,6-/m0/s1
InChIKeyQXHOEPWYLQWYND-NJGYIYPDSA-N
MW197.16 g/mol
LogP0.83
Rot. Bonds2

About cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate

cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate (PubChem CID 11379297) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate
PubChem CID11379297
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Namecis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)[C@]1(N)C[C@@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-2-13-5(12)6(11)3-4(6)7(8,9)10/h4H,2-3,11H2,1H3/t4-,6-/m0/s1
InChIKeyQXHOEPWYLQWYND-NJGYIYPDSA-N
XLogP0.83
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The IUPAC name of cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate (CID 11379297) is cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The canonical SMILES for cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate is CCOC(=O)[C@]1(N)C[C@@H]1C(F)(F)F.
What is the InChIKey of cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate?
The InChIKey is QXHOEPWYLQWYND-NJGYIYPDSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-13-5(12)6(11)3-4(6)7(8,9)10/h4H,2-3,11H2,1H3/t4-,6-/m0/s1.
What are the key properties of cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate?
cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate has a molecular weight of 197.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-ethyl (1S,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 11379297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).