2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol

C8H16FINO- — CID 178035034

IUPAC2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol
SMILESC[I-]N1CCC(F)(C(C)(C)O)C1
InChIInChI=1S/C8H16FINO/c1-7(2,12)8(9)4-5-11(6-8)10-3/h12H,4-6H2,1-3H3/q-1
InChIKeyACLZFVMLMIYGFZ-UHFFFAOYSA-N
MW288.12 g/mol
LogP-2.19
Rot. Bonds2

About 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol

2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol (PubChem CID 178035034) has the molecular formula C8H16FINO- and a molecular weight of 288.12 g/mol. Its IUPAC name is 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol
PubChem CID178035034
Molecular FormulaC8H16FINO-
Molecular Weight288.12 g/mol
Exact Mass288.03
IUPAC Name2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol
SMILESC[I-]N1CCC(F)(C(C)(C)O)C1
InChIInChI=1S/C8H16FINO/c1-7(2,12)8(9)4-5-11(6-8)10-3/h12H,4-6H2,1-3H3/q-1
InChIKeyACLZFVMLMIYGFZ-UHFFFAOYSA-N
XLogP-2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol?
The IUPAC name of 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol (CID 178035034) is 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol is C[I-]N1CCC(F)(C(C)(C)O)C1.
What is the InChIKey of 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol?
The InChIKey is ACLZFVMLMIYGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FINO/c1-7(2,12)8(9)4-5-11(6-8)10-3/h12H,4-6H2,1-3H3/q-1.
What are the key properties of 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol?
2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol has a molecular weight of 288.12 g/mol, XLogP of -2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-1-methyliodanuidylpyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 178035034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).