6-fluoro-1-benzofuran-5-carbonitrile

C9H4FNO — CID 117276102

IUPAC6-fluoro-1-benzofuran-5-carbonitrile
SMILESN#Cc1cc2ccoc2cc1F
InChIInChI=1S/C9H4FNO/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4H
InChIKeyBKZCPVVKDSPRJJ-UHFFFAOYSA-N
MW161.13 g/mol
LogP2.44
Rot. Bonds

About 6-fluoro-1-benzofuran-5-carbonitrile

6-fluoro-1-benzofuran-5-carbonitrile (PubChem CID 117276102) has the molecular formula C9H4FNO and a molecular weight of 161.13 g/mol. Its IUPAC name is 6-fluoro-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name6-fluoro-1-benzofuran-5-carbonitrile
PubChem CID117276102
Molecular FormulaC9H4FNO
Molecular Weight161.13 g/mol
Exact Mass161.03
IUPAC Name6-fluoro-1-benzofuran-5-carbonitrile
SMILESN#Cc1cc2ccoc2cc1F
InChIInChI=1S/C9H4FNO/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4H
InChIKeyBKZCPVVKDSPRJJ-UHFFFAOYSA-N
XLogP2.44
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.13
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoronaphthalene-2-carbonitrile
CID 53485645
4-fluoro-1-benzofuran-5-carbonitrile
CID 117276103
5-fluoro-1-benzofuran-6-carbaldehyde
CID 19611664
6H-furo[2,3-f]isoindole-5-carbonitrile
CID 164596137
4,5-dibromo-2-fluorobenzonitrile
CID 118846547
2-fluoro-4-(furan-2-yl)benzonitrile
CID 130938678
5-fluoro-1H-indole-6-carbonitrile
CID 67025317
6-methoxyfuro[2,3-b]pyridine-5-carbonitrile
CID 82411525
naphthalene-2,3,6,7-tetracarbonitrile
CID 66972136
6-fluoro-7-piperazin-1-yl-1-benzofuran-5-carbonitrile
CID 10221371
6-fluoro-7-hydroxy-2-oxochromene-3-carbonitrile
CID 88962102
1-(6-fluoro-1-benzofuran-5-yl)cyclobutane-1-carboxylic acid
CID 117339986

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-benzofuran-5-carbonitrile?
The IUPAC name of 6-fluoro-1-benzofuran-5-carbonitrile (CID 117276102) is 6-fluoro-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 6-fluoro-1-benzofuran-5-carbonitrile?
The canonical SMILES for 6-fluoro-1-benzofuran-5-carbonitrile is N#Cc1cc2ccoc2cc1F.
What is the InChIKey of 6-fluoro-1-benzofuran-5-carbonitrile?
The InChIKey is BKZCPVVKDSPRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FNO/c10-8-4-9-6(1-2-12-9)3-7(8)5-11/h1-4H.
What are the key properties of 6-fluoro-1-benzofuran-5-carbonitrile?
6-fluoro-1-benzofuran-5-carbonitrile has a molecular weight of 161.13 g/mol, XLogP of 2.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 117276102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).