N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine

C11H11FIN5 — CID 79771892

IUPACN-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(-n2nnnc2CNC2CC2)c(I)c1
InChIInChI=1S/C11H11FIN5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2
InChIKeyQDEMMHXBPOCSDN-UHFFFAOYSA-N
MW359.15 g/mol
LogP1.66
Rot. Bonds4

About N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 79771892) has the molecular formula C11H11FIN5 and a molecular weight of 359.15 g/mol. Its IUPAC name is N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID79771892
Molecular FormulaC11H11FIN5
Molecular Weight359.15 g/mol
Exact Mass359.00
IUPAC NameN-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(-n2nnnc2CNC2CC2)c(I)c1
InChIInChI=1S/C11H11FIN5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2
InChIKeyQDEMMHXBPOCSDN-UHFFFAOYSA-N
XLogP1.66
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine (CID 79771892) is N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine is Fc1ccc(-n2nnnc2CNC2CC2)c(I)c1.
What is the InChIKey of N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is QDEMMHXBPOCSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FIN5/c12-7-1-4-10(9(13)5-7)18-11(15-16-17-18)6-14-8-2-3-8/h1,4-5,8,14H,2-3,6H2.
What are the key properties of N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 359.15 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79771892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).