3-(2-cyclobutylethylamino)-5-fluorobenzonitrile

C13H15FN2 — CID 102817361

IUPAC3-(2-cyclobutylethylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(NCCC2CCC2)c1
InChIInChI=1S/C13H15FN2/c14-12-6-11(9-15)7-13(8-12)16-5-4-10-2-1-3-10/h6-8,10,16H,1-5H2
InChIKeyANSIQBGAFWCNIY-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.30
Rot. Bonds4

About 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile

3-(2-cyclobutylethylamino)-5-fluorobenzonitrile (PubChem CID 102817361) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-(2-cyclobutylethylamino)-5-fluorobenzonitrile
PubChem CID102817361
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name3-(2-cyclobutylethylamino)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(NCCC2CCC2)c1
InChIInChI=1S/C13H15FN2/c14-12-6-11(9-15)7-13(8-12)16-5-4-10-2-1-3-10/h6-8,10,16H,1-5H2
InChIKeyANSIQBGAFWCNIY-UHFFFAOYSA-N
XLogP3.30
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile?
The IUPAC name of 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile (CID 102817361) is 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile.
What is the SMILES notation for 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile?
The canonical SMILES for 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile is N#Cc1cc(F)cc(NCCC2CCC2)c1.
What is the InChIKey of 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile?
The InChIKey is ANSIQBGAFWCNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-12-6-11(9-15)7-13(8-12)16-5-4-10-2-1-3-10/h6-8,10,16H,1-5H2.
What are the key properties of 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile?
3-(2-cyclobutylethylamino)-5-fluorobenzonitrile has a molecular weight of 218.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclobutylethylamino)-5-fluorobenzonitrile is sourced from PubChem (CID 102817361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).