tert-butyl N-(2-fluoro-3-iodopropyl)carbamate

C8H15FINO2 — CID 85044662

IUPACtert-butyl N-(2-fluoro-3-iodopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)CI
InChIInChI=1S/C8H15FINO2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyGVPFWSBKIVUQJO-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl N-(2-fluoro-3-iodopropyl)carbamate

tert-butyl N-(2-fluoro-3-iodopropyl)carbamate (PubChem CID 85044662) has the molecular formula C8H15FINO2 and a molecular weight of 303.12 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-3-iodopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-3-iodopropyl)carbamate
PubChem CID85044662
Molecular FormulaC8H15FINO2
Molecular Weight303.12 g/mol
Exact Mass303.01
IUPAC Nametert-butyl N-(2-fluoro-3-iodopropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(F)CI
InChIInChI=1S/C8H15FINO2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyGVPFWSBKIVUQJO-UHFFFAOYSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.28
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-3-iodopropyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-3-iodopropyl)carbamate (CID 85044662) is tert-butyl N-(2-fluoro-3-iodopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-3-iodopropyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-3-iodopropyl)carbamate is CC(C)(C)OC(=O)NCC(F)CI.
What is the InChIKey of tert-butyl N-(2-fluoro-3-iodopropyl)carbamate?
The InChIKey is GVPFWSBKIVUQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FINO2/c1-8(2,3)13-7(12)11-5-6(9)4-10/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(2-fluoro-3-iodopropyl)carbamate?
tert-butyl N-(2-fluoro-3-iodopropyl)carbamate has a molecular weight of 303.12 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-fluoro-3-iodopropyl)carbamate is sourced from PubChem (CID 85044662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).