6-fluoro-7-(isocyanatomethyl)-1-benzofuran

C10H6FNO2 — CID 117282115

IUPAC6-fluoro-7-(isocyanatomethyl)-1-benzofuran
SMILESO=C=NCc1c(F)ccc2ccoc12
InChIInChI=1S/C10H6FNO2/c11-9-2-1-7-3-4-14-10(7)8(9)5-12-6-13/h1-4H,5H2
InChIKeyMRYQNOHBDJCRIM-UHFFFAOYSA-N
MW191.16 g/mol
LogP2.41
Rot. Bonds2

About 6-fluoro-7-(isocyanatomethyl)-1-benzofuran

6-fluoro-7-(isocyanatomethyl)-1-benzofuran (PubChem CID 117282115) has the molecular formula C10H6FNO2 and a molecular weight of 191.16 g/mol. Its IUPAC name is 6-fluoro-7-(isocyanatomethyl)-1-benzofuran.

Molecular Properties

Compound Name6-fluoro-7-(isocyanatomethyl)-1-benzofuran
PubChem CID117282115
Molecular FormulaC10H6FNO2
Molecular Weight191.16 g/mol
Exact Mass191.04
IUPAC Name6-fluoro-7-(isocyanatomethyl)-1-benzofuran
SMILESO=C=NCc1c(F)ccc2ccoc12
InChIInChI=1S/C10H6FNO2/c11-9-2-1-7-3-4-14-10(7)8(9)5-12-6-13/h1-4H,5H2
InChIKeyMRYQNOHBDJCRIM-UHFFFAOYSA-N
XLogP2.41
TPSA42.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

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Related Compounds

(6-fluoro-1-benzofuran-7-yl)methanol
CID 117276362
N-[(6-fluoro-1-benzofuran-7-yl)methyl]hydroxylamine
CID 117278576
4-fluoro-3-(isocyanatomethyl)benzene-1,2-diol
CID 117279303
6-fluoro-7-(1-isocyanatocyclopropyl)-1-benzofuran
CID 117308906
8-(isocyanatomethyl)furo[2,3-f][1]benzofuran-4-ol
CID 117329813
7-bromo-6-fluoro-1-benzofuran
CID 22144929
6-fluoro-1-benzofuran-7-ol
CID 164580528
1,2,4,5-tetrafluoro-3-(isocyanatomethyl)benzene
CID 83402378
4-fluoro-5-(isocyanatomethyl)-1-benzofuran
CID 117282117
3-amino-2-(6-fluoro-1-benzofuran-7-yl)propanoic acid
CID 117319085
1-[3-fluoro-2-(isocyanatomethyl)phenyl]pyrrolidine
CID 117314049
2-(6-fluoro-1-benzofuran-7-yl)propan-1-amine
CID 117283511

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(isocyanatomethyl)-1-benzofuran?
The IUPAC name of 6-fluoro-7-(isocyanatomethyl)-1-benzofuran (CID 117282115) is 6-fluoro-7-(isocyanatomethyl)-1-benzofuran.
What is the SMILES notation for 6-fluoro-7-(isocyanatomethyl)-1-benzofuran?
The canonical SMILES for 6-fluoro-7-(isocyanatomethyl)-1-benzofuran is O=C=NCc1c(F)ccc2ccoc12.
What is the InChIKey of 6-fluoro-7-(isocyanatomethyl)-1-benzofuran?
The InChIKey is MRYQNOHBDJCRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2/c11-9-2-1-7-3-4-14-10(7)8(9)5-12-6-13/h1-4H,5H2.
What are the key properties of 6-fluoro-7-(isocyanatomethyl)-1-benzofuran?
6-fluoro-7-(isocyanatomethyl)-1-benzofuran has a molecular weight of 191.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(isocyanatomethyl)-1-benzofuran is sourced from PubChem (CID 117282115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).