N-iodo-N-(trifluoromethyl)cyclopropanamine

C4H5F3IN — CID 87498789

IUPACN-iodo-N-(trifluoromethyl)cyclopropanamine
SMILESFC(F)(F)N(I)C1CC1
InChIInChI=1S/C4H5F3IN/c5-4(6,7)9(8)3-1-2-3/h3H,1-2H2
InChIKeyAZCCDMUMLRGRHT-UHFFFAOYSA-N
MW250.99 g/mol
LogP2.32
Rot. Bonds1

About N-iodo-N-(trifluoromethyl)cyclopropanamine

N-iodo-N-(trifluoromethyl)cyclopropanamine (PubChem CID 87498789) has the molecular formula C4H5F3IN and a molecular weight of 250.99 g/mol. Its IUPAC name is N-iodo-N-(trifluoromethyl)cyclopropanamine.

Molecular Properties

Compound NameN-iodo-N-(trifluoromethyl)cyclopropanamine
PubChem CID87498789
Molecular FormulaC4H5F3IN
Molecular Weight250.99 g/mol
Exact Mass250.94
IUPAC NameN-iodo-N-(trifluoromethyl)cyclopropanamine
SMILESFC(F)(F)N(I)C1CC1
InChIInChI=1S/C4H5F3IN/c5-4(6,7)9(8)3-1-2-3/h3H,1-2H2
InChIKeyAZCCDMUMLRGRHT-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.99
LogP ≤ 52.32
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?
The IUPAC name of N-iodo-N-(trifluoromethyl)cyclopropanamine (CID 87498789) is N-iodo-N-(trifluoromethyl)cyclopropanamine.
What is the SMILES notation for N-iodo-N-(trifluoromethyl)cyclopropanamine?
The canonical SMILES for N-iodo-N-(trifluoromethyl)cyclopropanamine is FC(F)(F)N(I)C1CC1.
What is the InChIKey of N-iodo-N-(trifluoromethyl)cyclopropanamine?
The InChIKey is AZCCDMUMLRGRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3IN/c5-4(6,7)9(8)3-1-2-3/h3H,1-2H2.
What are the key properties of N-iodo-N-(trifluoromethyl)cyclopropanamine?
N-iodo-N-(trifluoromethyl)cyclopropanamine has a molecular weight of 250.99 g/mol, XLogP of 2.32, 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 is sourced from PubChem (CID 87498789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).