3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate

C10H7FINO2 — CID 14276839

IUPAC3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OCC#CI
InChIInChI=1S/C10H7FINO2/c11-8-4-1-2-5-9(8)13-10(14)15-7-3-6-12/h1-2,4-5H,7H2,(H,13,14)
InChIKeyONWCQABSBISYRC-UHFFFAOYSA-N
MW319.07 g/mol
LogP2.77
Rot. Bonds2

About 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate

3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate (PubChem CID 14276839) has the molecular formula C10H7FINO2 and a molecular weight of 319.07 g/mol. Its IUPAC name is 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate.

Molecular Properties

Compound Name3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate
PubChem CID14276839
Molecular FormulaC10H7FINO2
Molecular Weight319.07 g/mol
Exact Mass318.95
IUPAC Name3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate
SMILESO=C(Nc1ccccc1F)OCC#CI
InChIInChI=1S/C10H7FINO2/c11-8-4-1-2-5-9(8)13-10(14)15-7-3-6-12/h1-2,4-5H,7H2,(H,13,14)
InChIKeyONWCQABSBISYRC-UHFFFAOYSA-N
XLogP2.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.07
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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phenyl N-(2-fluorophenyl)carbamate
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N'-(2-fluorophenyl)propanediamide
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CID 7235948
N'-(2-fluorophenyl)-N-(2-hydroxyphenyl)oxamide
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Frequently Asked Questions

What is the IUPAC name of 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate?
The IUPAC name of 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate (CID 14276839) is 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate.
What is the SMILES notation for 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate?
The canonical SMILES for 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate is O=C(Nc1ccccc1F)OCC#CI.
What is the InChIKey of 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate?
The InChIKey is ONWCQABSBISYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FINO2/c11-8-4-1-2-5-9(8)13-10(14)15-7-3-6-12/h1-2,4-5H,7H2,(H,13,14).
What are the key properties of 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate?
3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate has a molecular weight of 319.07 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodoprop-2-ynyl N-(2-fluorophenyl)carbamate is sourced from PubChem (CID 14276839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).