2-iodopropyl carbonofluoridate

C4H6FIO2 — CID 118465559

IUPAC2-iodopropyl carbonofluoridate
SMILESCC(I)COC(=O)F
InChIInChI=1S/C4H6FIO2/c1-3(6)2-8-4(5)7/h3H,2H2,1H3
InChIKeyBTZNYXOSGMQMLX-UHFFFAOYSA-N
MW231.99 g/mol
LogP1.92
Rot. Bonds2

About 2-iodopropyl carbonofluoridate

2-iodopropyl carbonofluoridate (PubChem CID 118465559) has the molecular formula C4H6FIO2 and a molecular weight of 231.99 g/mol. Its IUPAC name is 2-iodopropyl carbonofluoridate.

Molecular Properties

Compound Name2-iodopropyl carbonofluoridate
PubChem CID118465559
Molecular FormulaC4H6FIO2
Molecular Weight231.99 g/mol
Exact Mass231.94
IUPAC Name2-iodopropyl carbonofluoridate
SMILESCC(I)COC(=O)F
InChIInChI=1S/C4H6FIO2/c1-3(6)2-8-4(5)7/h3H,2H2,1H3
InChIKeyBTZNYXOSGMQMLX-UHFFFAOYSA-N
XLogP1.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.99
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Propyl fluoroformate
CID 12545972
(3-Fluoro-2-iodopropyl) acetate
CID 59838584
1-Fluoroethyl carboniodidate
CID 124087395
Propyl [ethyl(methyl)-lambda3-iodanyl]formate
CID 89001635
Propyl carboniodidate
CID 89004841
Ethyl propyliodanuidylformate
CID 156903388
Propyl ethyliodanuidylformate
CID 156903390
Propyl propyliodanuidylformate
CID 156903410

Frequently Asked Questions

What is the IUPAC name of 2-iodopropyl carbonofluoridate?
The IUPAC name of 2-iodopropyl carbonofluoridate (CID 118465559) is 2-iodopropyl carbonofluoridate.
What is the SMILES notation for 2-iodopropyl carbonofluoridate?
The canonical SMILES for 2-iodopropyl carbonofluoridate is CC(I)COC(=O)F.
What is the InChIKey of 2-iodopropyl carbonofluoridate?
The InChIKey is BTZNYXOSGMQMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6FIO2/c1-3(6)2-8-4(5)7/h3H,2H2,1H3.
What are the key properties of 2-iodopropyl carbonofluoridate?
2-iodopropyl carbonofluoridate has a molecular weight of 231.99 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodopropyl carbonofluoridate is sourced from PubChem (CID 118465559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).