N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

C11H11F3IN — CID 71648779

IUPACN-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESFC(F)(F)N(Cc1cccc(I)c1)C1CC1
InChIInChI=1S/C11H11F3IN/c12-11(13,14)16(10-4-5-10)7-8-2-1-3-9(15)6-8/h1-3,6,10H,4-5,7H2
InChIKeyCZLSEYSVOJCSJJ-UHFFFAOYSA-N
MW341.11 g/mol
LogP3.78
Rot. Bonds3

About N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine

N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (PubChem CID 71648779) has the molecular formula C11H11F3IN and a molecular weight of 341.11 g/mol. Its IUPAC name is N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
PubChem CID71648779
Molecular FormulaC11H11F3IN
Molecular Weight341.11 g/mol
Exact Mass340.99
IUPAC NameN-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
SMILESFC(F)(F)N(Cc1cccc(I)c1)C1CC1
InChIInChI=1S/C11H11F3IN/c12-11(13,14)16(10-4-5-10)7-8-2-1-3-9(15)6-8/h1-3,6,10H,4-5,7H2
InChIKeyCZLSEYSVOJCSJJ-UHFFFAOYSA-N
XLogP3.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.11
LogP ≤ 53.78
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The IUPAC name of N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine (CID 71648779) is N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The canonical SMILES for N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is FC(F)(F)N(Cc1cccc(I)c1)C1CC1.
What is the InChIKey of N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
The InChIKey is CZLSEYSVOJCSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3IN/c12-11(13,14)16(10-4-5-10)7-8-2-1-3-9(15)6-8/h1-3,6,10H,4-5,7H2.
What are the key properties of N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine?
N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine has a molecular weight of 341.11 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-iodophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine is sourced from PubChem (CID 71648779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).