5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine

C5H5FIN — CID 142663767

IUPAC5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine
SMILESNC1=CC(F)=CI=C1
InChIInChI=1S/C5H5FIN/c6-4-1-5(8)3-7-2-4/h1-3H,8H2
InChIKeyFLFRATGWYFWQRA-UHFFFAOYSA-N
MW225.00 g/mol
LogP1.43
Rot. Bonds

About 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine

5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine (PubChem CID 142663767) has the molecular formula C5H5FIN and a molecular weight of 225.00 g/mol. Its IUPAC name is 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine
PubChem CID142663767
Molecular FormulaC5H5FIN
Molecular Weight225.00 g/mol
Exact Mass224.95
IUPAC Name5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine
SMILESNC1=CC(F)=CI=C1
InChIInChI=1S/C5H5FIN/c6-4-1-5(8)3-7-2-4/h1-3H,8H2
InChIKeyFLFRATGWYFWQRA-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.00
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine?
The IUPAC name of 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine (CID 142663767) is 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine.
What is the SMILES notation for 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine?
The canonical SMILES for 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine is NC1=CC(F)=CI=C1.
What is the InChIKey of 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine?
The InChIKey is FLFRATGWYFWQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FIN/c6-4-1-5(8)3-7-2-4/h1-3H,8H2.
What are the key properties of 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine?
5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine has a molecular weight of 225.00 g/mol, XLogP of 1.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1λ3-iodacyclohexa-1,3,5-trien-3-amine is sourced from PubChem (CID 142663767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).