5-fluoro-2-(1-isocyanatocyclopropyl)phenol

C10H8FNO2 — CID 84772575

IUPAC5-fluoro-2-(1-isocyanatocyclopropyl)phenol
SMILESO=C=NC1(c2ccc(F)cc2O)CC1
InChIInChI=1S/C10H8FNO2/c11-7-1-2-8(9(14)5-7)10(3-4-10)12-6-13/h1-2,5,14H,3-4H2
InChIKeyUFJHTEXGZYNMLV-UHFFFAOYSA-N
MW193.18 g/mol
LogP1.86
Rot. Bonds2

About 5-fluoro-2-(1-isocyanatocyclopropyl)phenol

5-fluoro-2-(1-isocyanatocyclopropyl)phenol (PubChem CID 84772575) has the molecular formula C10H8FNO2 and a molecular weight of 193.18 g/mol. Its IUPAC name is 5-fluoro-2-(1-isocyanatocyclopropyl)phenol.

Molecular Properties

Compound Name5-fluoro-2-(1-isocyanatocyclopropyl)phenol
PubChem CID84772575
Molecular FormulaC10H8FNO2
Molecular Weight193.18 g/mol
Exact Mass193.05
IUPAC Name5-fluoro-2-(1-isocyanatocyclopropyl)phenol
SMILESO=C=NC1(c2ccc(F)cc2O)CC1
InChIInChI=1S/C10H8FNO2/c11-7-1-2-8(9(14)5-7)10(3-4-10)12-6-13/h1-2,5,14H,3-4H2
InChIKeyUFJHTEXGZYNMLV-UHFFFAOYSA-N
XLogP1.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-isocyanatocyclopropyl)phenol?
The IUPAC name of 5-fluoro-2-(1-isocyanatocyclopropyl)phenol (CID 84772575) is 5-fluoro-2-(1-isocyanatocyclopropyl)phenol.
What is the SMILES notation for 5-fluoro-2-(1-isocyanatocyclopropyl)phenol?
The canonical SMILES for 5-fluoro-2-(1-isocyanatocyclopropyl)phenol is O=C=NC1(c2ccc(F)cc2O)CC1.
What is the InChIKey of 5-fluoro-2-(1-isocyanatocyclopropyl)phenol?
The InChIKey is UFJHTEXGZYNMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO2/c11-7-1-2-8(9(14)5-7)10(3-4-10)12-6-13/h1-2,5,14H,3-4H2.
What are the key properties of 5-fluoro-2-(1-isocyanatocyclopropyl)phenol?
5-fluoro-2-(1-isocyanatocyclopropyl)phenol has a molecular weight of 193.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-isocyanatocyclopropyl)phenol is sourced from PubChem (CID 84772575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).