4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide

C12H17FN2O2 — CID 114280249

IUPAC4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCCCCF)cc1
InChIInChI=1S/C12H17FN2O2/c13-8-2-1-3-9-17-11-6-4-10(5-7-11)12(14)15-16/h4-7,16H,1-3,8-9H2,(H2,14,15)
InChIKeyFDIBHTXFRGMLSF-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.30
Rot. Bonds7

About 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide

4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 114280249) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide
PubChem CID114280249
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCCCCF)cc1
InChIInChI=1S/C12H17FN2O2/c13-8-2-1-3-9-17-11-6-4-10(5-7-11)12(14)15-16/h4-7,16H,1-3,8-9H2,(H2,14,15)
InChIKeyFDIBHTXFRGMLSF-UHFFFAOYSA-N
XLogP2.30
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 113326452
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-4-[[4-(N'-hydroxycarbamimidoyl)phenoxy]methoxy]benzenecarboximidamide
CID 123536479
N'-hydroxy-4-[[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]methoxy]benzenecarboximidamide
CID 89475792
N'-hydroxy-4-(2-pentoxyethoxy)benzenecarboximidamide
CID 61299054
formonitrile;4-heptoxy-N'-hydroxybenzenecarboximidamide;1-heptoxy-4-methylbenzene
CID 172920699
N'-hydroxy-4-[2-(2-methoxyethoxy)ethoxy]benzenecarboximidamide
CID 61301378
N'-hydroxy-4-[2-(3,3,3-trifluoropropoxy)ethoxy]benzenecarboximidamide
CID 82954695
N'-hydroxy-4-[2-(3-hydroxypropylamino)ethoxy]benzenecarboximidamide
CID 77029004

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide (CID 114280249) is 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OCCCCCF)cc1.
What is the InChIKey of 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is FDIBHTXFRGMLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-8-2-1-3-9-17-11-6-4-10(5-7-11)12(14)15-16/h4-7,16H,1-3,8-9H2,(H2,14,15).
What are the key properties of 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide?
4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 240.28 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114280249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).