trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride

C5H7ClF3NO2 — CID 43810883

IUPACtrans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@@]1(C(=O)O)C[C@H]1C(F)(F)F
InChIInChI=1S/C5H6F3NO2.ClH/c6-5(7,8)2-1-4(2,9)3(10)11;/h2H,1,9H2,(H,10,11);1H/t2-,4+;/m1./s1
InChIKeyQGKTVRJMCFQMAX-ZVYNFJQASA-N
MW205.56 g/mol
LogP0.77
Rot. Bonds1

About trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride

trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 43810883) has the molecular formula C5H7ClF3NO2 and a molecular weight of 205.56 g/mol. Its IUPAC name is trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID43810883
Molecular FormulaC5H7ClF3NO2
Molecular Weight205.56 g/mol
Exact Mass205.01
IUPAC Nametrans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.N[C@@]1(C(=O)O)C[C@H]1C(F)(F)F
InChIInChI=1S/C5H6F3NO2.ClH/c6-5(7,8)2-1-4(2,9)3(10)11;/h2H,1,9H2,(H,10,11);1H/t2-,4+;/m1./s1
InChIKeyQGKTVRJMCFQMAX-ZVYNFJQASA-N
XLogP0.77
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.56
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 43810883) is trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.N[C@@]1(C(=O)O)C[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is QGKTVRJMCFQMAX-ZVYNFJQASA-N. The full InChI is InChI=1S/C5H6F3NO2.ClH/c6-5(7,8)2-1-4(2,9)3(10)11;/h2H,1,9H2,(H,10,11);1H/t2-,4+;/m1./s1.
What are the key properties of trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 205.56 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 43810883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).