3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile

C13H15FN2O — CID 83229195

IUPAC3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(CNOC2CCCC2)c1
InChIInChI=1S/C13H15FN2O/c14-13-6-5-10(8-15)7-11(13)9-16-17-12-3-1-2-4-12/h5-7,12,16H,1-4,9H2
InChIKeyGWXHZKLFDHXNEY-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.66
Rot. Bonds4

About 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile

3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile (PubChem CID 83229195) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile
PubChem CID83229195
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile
SMILESN#Cc1ccc(F)c(CNOC2CCCC2)c1
InChIInChI=1S/C13H15FN2O/c14-13-6-5-10(8-15)7-11(13)9-16-17-12-3-1-2-4-12/h5-7,12,16H,1-4,9H2
InChIKeyGWXHZKLFDHXNEY-UHFFFAOYSA-N
XLogP2.66
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile?
The IUPAC name of 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile (CID 83229195) is 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile.
What is the SMILES notation for 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile?
The canonical SMILES for 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile is N#Cc1ccc(F)c(CNOC2CCCC2)c1.
What is the InChIKey of 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile?
The InChIKey is GWXHZKLFDHXNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-13-6-5-10(8-15)7-11(13)9-16-17-12-3-1-2-4-12/h5-7,12,16H,1-4,9H2.
What are the key properties of 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile?
3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentyloxyamino)methyl]-4-fluorobenzonitrile is sourced from PubChem (CID 83229195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).