5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile

C13H17FN2 — CID 56840740

IUPAC5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile
SMILESCN(C)CCCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c1-16(2)9-3-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyIIEUBPOOTNVBON-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.77
Rot. Bonds5

About 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile

5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile (PubChem CID 56840740) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile.

Molecular Properties

Compound Name5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile
PubChem CID56840740
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile
SMILESCN(C)CCCC(C#N)c1ccc(F)cc1
InChIInChI=1S/C13H17FN2/c1-16(2)9-3-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12H,3-4,9H2,1-2H3
InChIKeyIIEUBPOOTNVBON-UHFFFAOYSA-N
XLogP2.77
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile?
The IUPAC name of 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile (CID 56840740) is 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile.
What is the SMILES notation for 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile?
The canonical SMILES for 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile is CN(C)CCCC(C#N)c1ccc(F)cc1.
What is the InChIKey of 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile?
The InChIKey is IIEUBPOOTNVBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c1-16(2)9-3-4-12(10-15)11-5-7-13(14)8-6-11/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile?
5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile has a molecular weight of 220.29 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(4-fluorophenyl)pentanenitrile is sourced from PubChem (CID 56840740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).