cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride

C6H9ClF3NO2 — CID 122163830

IUPACcis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(N)C[C@H]1C(F)(F)F.Cl
InChIInChI=1S/C6H8F3NO2.ClH/c1-12-4(11)5(10)2-3(5)6(7,8)9;/h3H,2,10H2,1H3;1H/t3-,5-;/m1./s1
InChIKeyUYZXCNHJHNTVNU-MXQJLSQZSA-N
MW219.59 g/mol
LogP0.86
Rot. Bonds1

About cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride

cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride (PubChem CID 122163830) has the molecular formula C6H9ClF3NO2 and a molecular weight of 219.59 g/mol. Its IUPAC name is cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride
PubChem CID122163830
Molecular FormulaC6H9ClF3NO2
Molecular Weight219.59 g/mol
Exact Mass219.03
IUPAC Namecis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride
SMILESCOC(=O)[C@@]1(N)C[C@H]1C(F)(F)F.Cl
InChIInChI=1S/C6H8F3NO2.ClH/c1-12-4(11)5(10)2-3(5)6(7,8)9;/h3H,2,10H2,1H3;1H/t3-,5-;/m1./s1
InChIKeyUYZXCNHJHNTVNU-MXQJLSQZSA-N
XLogP0.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.59
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride (CID 122163830) is cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride is COC(=O)[C@@]1(N)C[C@H]1C(F)(F)F.Cl.
What is the InChIKey of cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride?
The InChIKey is UYZXCNHJHNTVNU-MXQJLSQZSA-N. The full InChI is InChI=1S/C6H8F3NO2.ClH/c1-12-4(11)5(10)2-3(5)6(7,8)9;/h3H,2,10H2,1H3;1H/t3-,5-;/m1./s1.
What are the key properties of cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride?
cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride has a molecular weight of 219.59 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-methyl (1R,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylate;hydrochloride is sourced from PubChem (CID 122163830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).