4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide

C10H10ClF3N2O3 — CID 106705042

IUPAC4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1OCOCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O3/c11-6-1-2-7(9(15)16-17)8(3-6)19-5-18-4-10(12,13)14/h1-3,17H,4-5H2,(H2,15,16)
InChIKeyLUKHXXZQKVUKGK-UHFFFAOYSA-N
MW298.65 g/mol
LogP2.35
Rot. Bonds5

About 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide

4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide (PubChem CID 106705042) has the molecular formula C10H10ClF3N2O3 and a molecular weight of 298.65 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide
PubChem CID106705042
Molecular FormulaC10H10ClF3N2O3
Molecular Weight298.65 g/mol
Exact Mass298.03
IUPAC Name4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1ccc(Cl)cc1OCOCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O3/c11-6-1-2-7(9(15)16-17)8(3-6)19-5-18-4-10(12,13)14/h1-3,17H,4-5H2,(H2,15,16)
InChIKeyLUKHXXZQKVUKGK-UHFFFAOYSA-N
XLogP2.35
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 63094186
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
2-chloro-N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 102724450
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
4-chloro-N'-hydroxy-2-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402738
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
4-chloro-2-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 63093707
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
2-(bromomethyl)-4-chloro-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705221

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide (CID 106705042) is 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide is N/C(=N/O)c1ccc(Cl)cc1OCOCC(F)(F)F.
What is the InChIKey of 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide?
The InChIKey is LUKHXXZQKVUKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O3/c11-6-1-2-7(9(15)16-17)8(3-6)19-5-18-4-10(12,13)14/h1-3,17H,4-5H2,(H2,15,16).
What are the key properties of 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide?
4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide has a molecular weight of 298.65 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-2-(2,2,2-trifluoroethoxymethoxy)benzenecarboximidamide is sourced from PubChem (CID 106705042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).