N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride

C4H6ClF3IN — CID 173089629

IUPACN-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride
SMILESCl.FC(F)(F)N(I)C1CC1
InChIInChI=1S/C4H5F3IN.ClH/c5-4(6,7)9(8)3-1-2-3;/h3H,1-2H2;1H
InChIKeyQZDFBXIDWHRQKB-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.74
Rot. Bonds1

About N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride

N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride (PubChem CID 173089629) has the molecular formula C4H6ClF3IN and a molecular weight of 287.45 g/mol. Its IUPAC name is N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride
PubChem CID173089629
Molecular FormulaC4H6ClF3IN
Molecular Weight287.45 g/mol
Exact Mass286.92
IUPAC NameN-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride
SMILESCl.FC(F)(F)N(I)C1CC1
InChIInChI=1S/C4H5F3IN.ClH/c5-4(6,7)9(8)3-1-2-3;/h3H,1-2H2;1H
InChIKeyQZDFBXIDWHRQKB-UHFFFAOYSA-N
XLogP2.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride (CID 173089629) is N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride is Cl.FC(F)(F)N(I)C1CC1.
What is the InChIKey of N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride?
The InChIKey is QZDFBXIDWHRQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3IN.ClH/c5-4(6,7)9(8)3-1-2-3;/h3H,1-2H2;1H.
What are the key properties of N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride?
N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride has a molecular weight of 287.45 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-iodo-N-(trifluoromethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 173089629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).