N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide

C11H13F3N2O2 — CID 113326452

IUPACN'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-1-7-18-9-4-2-8(3-5-9)10(15)16-17/h2-5,17H,1,6-7H2,(H2,15,16)
InChIKeyULFIJBSLTQSFMT-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.50
Rot. Bonds5

About N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide

N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide (PubChem CID 113326452) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
PubChem CID113326452
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC NameN'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OCCCC(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)6-1-7-18-9-4-2-8(3-5-9)10(15)16-17/h2-5,17H,1,6-7H2,(H2,15,16)
InChIKeyULFIJBSLTQSFMT-UHFFFAOYSA-N
XLogP2.50
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.50
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-[2-(3,3,3-trifluoropropoxy)ethoxy]benzenecarboximidamide
CID 82954695
N'-hydroxy-4-[3-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]propoxy]benzenecarboximidamide
CID 5480201
N'-hydroxy-4-(4,4,4-trifluorobutoxymethyl)benzenecarboximidamide
CID 82788437
4-(4,4,4-trifluorobutoxy)benzamide
CID 169016567
4-butoxy-N'-hydroxybenzenecarboximidamide
CID 2255598
4-(5-fluoropentoxy)-N'-hydroxybenzenecarboximidamide
CID 114280249
(NZ)-N-[1-[4-(4,4,4-trifluorobutoxy)phenyl]propylidene]hydroxylamine
CID 115514140
N'-hydroxy-4-(3-methoxypropoxy)benzenecarboximidamide
CID 76883900
N'-hydroxy-4-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]benzenecarboximidamide
CID 61298660
4-[6-[3,5-bis[6-[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]hexoxy]phenoxy]hexoxy]-N'-hydroxybenzenecarboximidamide;ethane
CID 142380100
2-[4-(4,4,4-trifluorobutoxy)phenyl]guanidine
CID 142687187
N'-hydroxy-4-(3-methoxy-3-methylbutoxy)benzenecarboximidamide
CID 103033917

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide (CID 113326452) is N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide is N/C(=N/O)c1ccc(OCCCC(F)(F)F)cc1.
What is the InChIKey of N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide?
The InChIKey is ULFIJBSLTQSFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)6-1-7-18-9-4-2-8(3-5-9)10(15)16-17/h2-5,17H,1,6-7H2,(H2,15,16).
What are the key properties of N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide?
N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide has a molecular weight of 262.23 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4,4,4-trifluorobutoxy)benzenecarboximidamide is sourced from PubChem (CID 113326452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).