3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile

C13H15FN2O — CID 83235190

IUPAC3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(CNOC2CCCC2)c1
InChIInChI=1S/C13H15FN2O/c14-12-6-10(8-15)5-11(7-12)9-16-17-13-3-1-2-4-13/h5-7,13,16H,1-4,9H2
InChIKeyFHSGAULYXCBCJD-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.66
Rot. Bonds4

About 3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile

3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile (PubChem CID 83235190) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile
PubChem CID83235190
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(CNOC2CCCC2)c1
InChIInChI=1S/C13H15FN2O/c14-12-6-10(8-15)5-11(7-12)9-16-17-13-3-1-2-4-13/h5-7,13,16H,1-4,9H2
InChIKeyFHSGAULYXCBCJD-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]-5-fluorobenzonitrile?
The IUPAC name of 3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile (CID 83235190) is 3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile.
What is the SMILES notation for 3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile?
The canonical SMILES for 3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile is N#Cc1cc(F)cc(CNOC2CCCC2)c1.
What is the InChIKey of 3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile?
The InChIKey is FHSGAULYXCBCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-12-6-10(8-15)5-11(7-12)9-16-17-13-3-1-2-4-13/h5-7,13,16H,1-4,9H2.
What are the key properties of 3-[(cyclopentyloxyamino)methyl]-5-fluorobenzonitrile?
3-[(cyclopentyloxyamino)methyl]-5-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]-5-fluorobenzonitrile is sourced from PubChem (CID 83235190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).