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

C6H9ClF3NO2 — CID 167739223

IUPACtrans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NC[C@]1(C(=O)O)C[C@@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO2.ClH/c7-6(8,9)3-1-5(3,2-10)4(11)12;/h3H,1-2,10H2,(H,11,12);1H/t3-,5+;/m0./s1
InChIKeyIOLORUMHTDSBNL-DIAJRCDFSA-N
MW219.59 g/mol
LogP1.02
Rot. Bonds2

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

trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride (PubChem CID 167739223) has the molecular formula C6H9ClF3NO2 and a molecular weight of 219.59 g/mol. Its IUPAC name is trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Nametrans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
PubChem CID167739223
Molecular FormulaC6H9ClF3NO2
Molecular Weight219.59 g/mol
Exact Mass219.03
IUPAC Nametrans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
SMILESCl.NC[C@]1(C(=O)O)C[C@@H]1C(F)(F)F
InChIInChI=1S/C6H8F3NO2.ClH/c7-6(8,9)3-1-5(3,2-10)4(11)12;/h3H,1-2,10H2,(H,11,12);1H/t3-,5+;/m0./s1
InChIKeyIOLORUMHTDSBNL-DIAJRCDFSA-N
XLogP1.02
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.59
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 121215505
trans-(1S,2R)-1-amino-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 43810883
trans-(1S,2S)-1-(aminomethyl)-2-methylsulfonylcyclopropane-1-carboxylic acid;hydrochloride
CID 165487911
cis-(1R,2S)-1-(aminomethyl)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 92851533
(1S,2R,4R)-2-(aminomethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 138040067
1-(aminomethyl)-2-(3,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 22182767
3-amino-1-(trifluoromethyl)cyclobutane-1-carboxylic acid;hydrochloride
CID 155820000
trans-(1R,2S)-1-(oxetan-3-ylmethylcarbamoyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 167962397
1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 22561606
(1S)-1-ethyl-2-fluorocyclopropane-1-carboxylic acid
CID 155897633
trans-(1S,2S)-1-[[(2-ethoxybenzoyl)amino]methyl]-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 146150341
(4-fluoro-1-bicyclo[2.2.2]octanyl)methanamine;2,2,2-trifluoroacetic acid
CID 170902541

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The IUPAC name of trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride (CID 167739223) is trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The canonical SMILES for trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride is Cl.NC[C@]1(C(=O)O)C[C@@H]1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
The InChIKey is IOLORUMHTDSBNL-DIAJRCDFSA-N. The full InChI is InChI=1S/C6H8F3NO2.ClH/c7-6(8,9)3-1-5(3,2-10)4(11)12;/h3H,1-2,10H2,(H,11,12);1H/t3-,5+;/m0./s1.
What are the key properties of trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride?
trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride has a molecular weight of 219.59 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-(aminomethyl)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 167739223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).