acetonitrile;fluorobenzene

C8H8FN — CID 161293725

IUPACacetonitrile;fluorobenzene
SMILESCC#N.Fc1ccccc1
InChIInChI=1S/C6H5F.C2H3N/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;1H3
InChIKeyVGRUIFNDZQHDDM-UHFFFAOYSA-N
MW137.16 g/mol
LogP2.36
Rot. Bonds

About acetonitrile;fluorobenzene

acetonitrile;fluorobenzene (PubChem CID 161293725) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is acetonitrile;fluorobenzene.

Molecular Properties

Compound Nameacetonitrile;fluorobenzene
PubChem CID161293725
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Nameacetonitrile;fluorobenzene
SMILESCC#N.Fc1ccccc1
InChIInChI=1S/C6H5F.C2H3N/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;1H3
InChIKeyVGRUIFNDZQHDDM-UHFFFAOYSA-N
XLogP2.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

fluoro(1,2,3,4,5,6-13C6)cyclohexatriene
CID 76973692
fluorobenzene fluoride
CID 139243602
cobalt;fluorobenzene
CID 139244086
fluorobenzene;nickel
CID 175250202
bis(acetonitrile);1,1'-biphenyl
CID 175366291
acetonitrile;benzene;hydrate
CID 18177286
magnesium;fluorobenzene;hydride;hydrobromide
CID 173034545
fluorobenzene;fluoroform
CID 158907062
acetonitrile;biphenylene
CID 23213528
fluorobenzene;prop-1-ene
CID 18357463
acetonitrile;ethane;toluene
CID 91141912
chlorobenzene;fluorobenzene;dihydrate
CID 174541294

Frequently Asked Questions

What is the IUPAC name of acetonitrile;fluorobenzene?
The IUPAC name of acetonitrile;fluorobenzene (CID 161293725) is acetonitrile;fluorobenzene.
What is the SMILES notation for acetonitrile;fluorobenzene?
The canonical SMILES for acetonitrile;fluorobenzene is CC#N.Fc1ccccc1.
What is the InChIKey of acetonitrile;fluorobenzene?
The InChIKey is VGRUIFNDZQHDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F.C2H3N/c7-6-4-2-1-3-5-6;1-2-3/h1-5H;1H3.
What are the key properties of acetonitrile;fluorobenzene?
acetonitrile;fluorobenzene has a molecular weight of 137.16 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;fluorobenzene is sourced from PubChem (CID 161293725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).