2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride

C6H11ClF3N — CID 146082417

IUPAC2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride
SMILESCl.NCC[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)5-3-4(5)1-2-10;/h4-5H,1-3,10H2;1H/t4-,5-;/m1./s1
InChIKeyFTRCFSXBUDVODA-TYSVMGFPSA-N
MW189.61 g/mol
LogP1.96
Rot. Bonds2

About 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride

2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride (PubChem CID 146082417) has the molecular formula C6H11ClF3N and a molecular weight of 189.61 g/mol. Its IUPAC name is 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride
PubChem CID146082417
Molecular FormulaC6H11ClF3N
Molecular Weight189.61 g/mol
Exact Mass189.05
IUPAC Name2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride
SMILESCl.NCC[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C6H10F3N.ClH/c7-6(8,9)5-3-4(5)1-2-10;/h4-5H,1-3,10H2;1H/t4-,5-;/m1./s1
InChIKeyFTRCFSXBUDVODA-TYSVMGFPSA-N
XLogP1.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.61
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride?
The IUPAC name of 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride (CID 146082417) is 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride?
The canonical SMILES for 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride is Cl.NCC[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride?
The InChIKey is FTRCFSXBUDVODA-TYSVMGFPSA-N. The full InChI is InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-3-4(5)1-2-10;/h4-5H,1-3,10H2;1H/t4-,5-;/m1./s1.
What are the key properties of 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride?
2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride has a molecular weight of 189.61 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2R)-2-(trifluoromethyl)cyclopropyl]ethanamine;hydrochloride is sourced from PubChem (CID 146082417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).