2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol

C10H14FIN2O — CID 66099680

IUPAC2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
SMILESCCC(CO)Nc1cc(F)c(I)cc1N
InChIInChI=1S/C10H14FIN2O/c1-2-6(5-15)14-10-3-7(11)8(12)4-9(10)13/h3-4,6,14-15H,2,5,13H2,1H3
InChIKeyQIXCLEZSBWZSAY-UHFFFAOYSA-N
MW324.14 g/mol
LogP2.20
Rot. Bonds4

About 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol

2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol (PubChem CID 66099680) has the molecular formula C10H14FIN2O and a molecular weight of 324.14 g/mol. Its IUPAC name is 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol.

Molecular Properties

Compound Name2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
PubChem CID66099680
Molecular FormulaC10H14FIN2O
Molecular Weight324.14 g/mol
Exact Mass324.01
IUPAC Name2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol
SMILESCCC(CO)Nc1cc(F)c(I)cc1N
InChIInChI=1S/C10H14FIN2O/c1-2-6(5-15)14-10-3-7(11)8(12)4-9(10)13/h3-4,6,14-15H,2,5,13H2,1H3
InChIKeyQIXCLEZSBWZSAY-UHFFFAOYSA-N
XLogP2.20
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol?
The IUPAC name of 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol (CID 66099680) is 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol.
What is the SMILES notation for 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol?
The canonical SMILES for 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol is CCC(CO)Nc1cc(F)c(I)cc1N.
What is the InChIKey of 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol?
The InChIKey is QIXCLEZSBWZSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FIN2O/c1-2-6(5-15)14-10-3-7(11)8(12)4-9(10)13/h3-4,6,14-15H,2,5,13H2,1H3.
What are the key properties of 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol?
2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol has a molecular weight of 324.14 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluoro-4-iodoanilino)butan-1-ol is sourced from PubChem (CID 66099680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).