2-(benzylamino)-6-fluorobenzonitrile

C14H11FN2 — CID 43399492

IUPAC2-(benzylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccccc1
InChIInChI=1S/C14H11FN2/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8,17H,10H2
InChIKeyNKOTUUJDQUDUQH-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.31
Rot. Bonds3

About 2-(benzylamino)-6-fluorobenzonitrile

2-(benzylamino)-6-fluorobenzonitrile (PubChem CID 43399492) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-(benzylamino)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(benzylamino)-6-fluorobenzonitrile
PubChem CID43399492
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name2-(benzylamino)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1NCc1ccccc1
InChIInChI=1S/C14H11FN2/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8,17H,10H2
InChIKeyNKOTUUJDQUDUQH-UHFFFAOYSA-N
XLogP3.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-6-fluorobenzonitrile?
The IUPAC name of 2-(benzylamino)-6-fluorobenzonitrile (CID 43399492) is 2-(benzylamino)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(benzylamino)-6-fluorobenzonitrile?
The canonical SMILES for 2-(benzylamino)-6-fluorobenzonitrile is N#Cc1c(F)cccc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-6-fluorobenzonitrile?
The InChIKey is NKOTUUJDQUDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-13-7-4-8-14(12(13)9-16)17-10-11-5-2-1-3-6-11/h1-8,17H,10H2.
What are the key properties of 2-(benzylamino)-6-fluorobenzonitrile?
2-(benzylamino)-6-fluorobenzonitrile has a molecular weight of 226.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-6-fluorobenzonitrile is sourced from PubChem (CID 43399492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).