4-ethylbenzonitrile;fluoromethane

C10H12FN — CID 143083977

IUPAC4-ethylbenzonitrile;fluoromethane
SMILESCCc1ccc(C#N)cc1.CF
InChIInChI=1S/C9H9N.CH3F/c1-2-8-3-5-9(7-10)6-4-8;1-2/h3-6H,2H2,1H3;1H3
InChIKeyKIYNLPRMBGYGPS-UHFFFAOYSA-N
MW165.21 g/mol
LogP2.71
Rot. Bonds1

About 4-ethylbenzonitrile;fluoromethane

4-ethylbenzonitrile;fluoromethane (PubChem CID 143083977) has the molecular formula C10H12FN and a molecular weight of 165.21 g/mol. Its IUPAC name is 4-ethylbenzonitrile;fluoromethane.

Molecular Properties

Compound Name4-ethylbenzonitrile;fluoromethane
PubChem CID143083977
Molecular FormulaC10H12FN
Molecular Weight165.21 g/mol
Exact Mass165.10
IUPAC Name4-ethylbenzonitrile;fluoromethane
SMILESCCc1ccc(C#N)cc1.CF
InChIInChI=1S/C9H9N.CH3F/c1-2-8-3-5-9(7-10)6-4-8;1-2/h3-6H,2H2,1H3;1H3
InChIKeyKIYNLPRMBGYGPS-UHFFFAOYSA-N
XLogP2.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[5-[2-(4-ethylphenyl)ethyl]-2-pyridinyl]benzonitrile
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4-(N-[6-(N-(4-cyanophenyl)-4-ethylanilino)-3,8-diethylpyren-1-yl]-4-ethylanilino)benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzonitrile;fluoromethane?
The IUPAC name of 4-ethylbenzonitrile;fluoromethane (CID 143083977) is 4-ethylbenzonitrile;fluoromethane.
What is the SMILES notation for 4-ethylbenzonitrile;fluoromethane?
The canonical SMILES for 4-ethylbenzonitrile;fluoromethane is CCc1ccc(C#N)cc1.CF.
What is the InChIKey of 4-ethylbenzonitrile;fluoromethane?
The InChIKey is KIYNLPRMBGYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.CH3F/c1-2-8-3-5-9(7-10)6-4-8;1-2/h3-6H,2H2,1H3;1H3.
What are the key properties of 4-ethylbenzonitrile;fluoromethane?
4-ethylbenzonitrile;fluoromethane has a molecular weight of 165.21 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzonitrile;fluoromethane is sourced from PubChem (CID 143083977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).