N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride

C5H9ClF3N — CID 43810684

IUPACN-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride
SMILESCl.FC(F)(F)CNC1CC1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)3-9-4-1-2-4;/h4,9H,1-3H2;1H
InChIKeyXNUIOISZOAAVDE-UHFFFAOYSA-N
MW175.58 g/mol
LogP1.72
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride

N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride (PubChem CID 43810684) has the molecular formula C5H9ClF3N and a molecular weight of 175.58 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride
PubChem CID43810684
Molecular FormulaC5H9ClF3N
Molecular Weight175.58 g/mol
Exact Mass175.04
IUPAC NameN-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride
SMILESCl.FC(F)(F)CNC1CC1
InChIInChI=1S/C5H8F3N.ClH/c6-5(7,8)3-9-4-1-2-4;/h4,9H,1-3H2;1H
InChIKeyXNUIOISZOAAVDE-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.58
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride (CID 43810684) is N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride is Cl.FC(F)(F)CNC1CC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride?
The InChIKey is XNUIOISZOAAVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3N.ClH/c6-5(7,8)3-9-4-1-2-4;/h4,9H,1-3H2;1H.
What are the key properties of N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride?
N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride has a molecular weight of 175.58 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 43810684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).