5-(fluoromethyl)furan-2-carbonitrile

C6H4FNO — CID 89079979

IUPAC5-(fluoromethyl)furan-2-carbonitrile
SMILESN#Cc1ccc(CF)o1
InChIInChI=1S/C6H4FNO/c7-3-5-1-2-6(4-8)9-5/h1-2H,3H2
InChIKeyYEBGOQMGWBWKPS-UHFFFAOYSA-N
MW125.10 g/mol
LogP1.62
Rot. Bonds1

About 5-(fluoromethyl)furan-2-carbonitrile

5-(fluoromethyl)furan-2-carbonitrile (PubChem CID 89079979) has the molecular formula C6H4FNO and a molecular weight of 125.10 g/mol. Its IUPAC name is 5-(fluoromethyl)furan-2-carbonitrile.

Molecular Properties

Compound Name5-(fluoromethyl)furan-2-carbonitrile
PubChem CID89079979
Molecular FormulaC6H4FNO
Molecular Weight125.10 g/mol
Exact Mass125.03
IUPAC Name5-(fluoromethyl)furan-2-carbonitrile
SMILESN#Cc1ccc(CF)o1
InChIInChI=1S/C6H4FNO/c7-3-5-1-2-6(4-8)9-5/h1-2H,3H2
InChIKeyYEBGOQMGWBWKPS-UHFFFAOYSA-N
XLogP1.62
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.10
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)furan-2-carbonitrile?
The IUPAC name of 5-(fluoromethyl)furan-2-carbonitrile (CID 89079979) is 5-(fluoromethyl)furan-2-carbonitrile.
What is the SMILES notation for 5-(fluoromethyl)furan-2-carbonitrile?
The canonical SMILES for 5-(fluoromethyl)furan-2-carbonitrile is N#Cc1ccc(CF)o1.
What is the InChIKey of 5-(fluoromethyl)furan-2-carbonitrile?
The InChIKey is YEBGOQMGWBWKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO/c7-3-5-1-2-6(4-8)9-5/h1-2H,3H2.
What are the key properties of 5-(fluoromethyl)furan-2-carbonitrile?
5-(fluoromethyl)furan-2-carbonitrile has a molecular weight of 125.10 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)furan-2-carbonitrile is sourced from PubChem (CID 89079979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).