5-(cyclohexylamino)-2-fluorobenzonitrile

C13H15FN2 — CID 62316955

IUPAC5-(cyclohexylamino)-2-fluorobenzonitrile
SMILESN#Cc1cc(NC2CCCCC2)ccc1F
InChIInChI=1S/C13H15FN2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h6-8,11,16H,1-5H2
InChIKeyKMGRQWPARKCZLP-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.44
Rot. Bonds2

About 5-(cyclohexylamino)-2-fluorobenzonitrile

5-(cyclohexylamino)-2-fluorobenzonitrile (PubChem CID 62316955) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 5-(cyclohexylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-(cyclohexylamino)-2-fluorobenzonitrile
PubChem CID62316955
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name5-(cyclohexylamino)-2-fluorobenzonitrile
SMILESN#Cc1cc(NC2CCCCC2)ccc1F
InChIInChI=1S/C13H15FN2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h6-8,11,16H,1-5H2
InChIKeyKMGRQWPARKCZLP-UHFFFAOYSA-N
XLogP3.44
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylamino)-2-fluorobenzonitrile?
The IUPAC name of 5-(cyclohexylamino)-2-fluorobenzonitrile (CID 62316955) is 5-(cyclohexylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 5-(cyclohexylamino)-2-fluorobenzonitrile?
The canonical SMILES for 5-(cyclohexylamino)-2-fluorobenzonitrile is N#Cc1cc(NC2CCCCC2)ccc1F.
What is the InChIKey of 5-(cyclohexylamino)-2-fluorobenzonitrile?
The InChIKey is KMGRQWPARKCZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h6-8,11,16H,1-5H2.
What are the key properties of 5-(cyclohexylamino)-2-fluorobenzonitrile?
5-(cyclohexylamino)-2-fluorobenzonitrile has a molecular weight of 218.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 62316955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).