acetonitrile;2-fluorophenol

C8H8FNO — CID 174966962

IUPACacetonitrile;2-fluorophenol
SMILESCC#N.Oc1ccccc1F
InChIInChI=1S/C6H5FO.C2H3N/c7-5-3-1-2-4-6(5)8;1-2-3/h1-4,8H;1H3
InChIKeyJGPNOBJFQCPJRN-UHFFFAOYSA-N
MW153.16 g/mol
LogP2.06
Rot. Bonds

About acetonitrile;2-fluorophenol

acetonitrile;2-fluorophenol (PubChem CID 174966962) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is acetonitrile;2-fluorophenol.

Molecular Properties

Compound Nameacetonitrile;2-fluorophenol
PubChem CID174966962
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Nameacetonitrile;2-fluorophenol
SMILESCC#N.Oc1ccccc1F
InChIInChI=1S/C6H5FO.C2H3N/c7-5-3-1-2-4-6(5)8;1-2-3/h1-4,8H;1H3
InChIKeyJGPNOBJFQCPJRN-UHFFFAOYSA-N
XLogP2.06
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;2-fluorophenol?
The IUPAC name of acetonitrile;2-fluorophenol (CID 174966962) is acetonitrile;2-fluorophenol.
What is the SMILES notation for acetonitrile;2-fluorophenol?
The canonical SMILES for acetonitrile;2-fluorophenol is CC#N.Oc1ccccc1F.
What is the InChIKey of acetonitrile;2-fluorophenol?
The InChIKey is JGPNOBJFQCPJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO.C2H3N/c7-5-3-1-2-4-6(5)8;1-2-3/h1-4,8H;1H3.
What are the key properties of acetonitrile;2-fluorophenol?
acetonitrile;2-fluorophenol has a molecular weight of 153.16 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;2-fluorophenol is sourced from PubChem (CID 174966962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).