2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide

C10H7ClF6N2O2 — CID 102722285

IUPAC2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF6N2O2/c11-6-3-4(1-2-5(6)7(18)19-20)21-8(9(12,13)14)10(15,16)17/h1-3,8,20H,(H2,18,19)
InChIKeyAJJBZLFJGOMUCA-UHFFFAOYSA-N
MW336.62 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide

2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide (PubChem CID 102722285) has the molecular formula C10H7ClF6N2O2 and a molecular weight of 336.62 g/mol. Its IUPAC name is 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide
PubChem CID102722285
Molecular FormulaC10H7ClF6N2O2
Molecular Weight336.62 g/mol
Exact Mass336.01
IUPAC Name2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1Cl
InChIInChI=1S/C10H7ClF6N2O2/c11-6-3-4(1-2-5(6)7(18)19-20)21-8(9(12,13)14)10(15,16)17/h1-3,8,20H,(H2,18,19)
InChIKeyAJJBZLFJGOMUCA-UHFFFAOYSA-N
XLogP3.31
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.62
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-chloro-4-(difluoromethoxy)-N'-hydroxybenzenecarboximidamide
CID 102724409
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
2-chloro-4-(4-chloro-3-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 82717050
2-chloro-N'-hydroxy-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzenecarboximidamide
CID 102724450
2-chloro-N'-hydroxy-4-(2,4,5-trichlorophenoxy)benzenecarboximidamide
CID 76997706
2-chloro-N'-hydroxy-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 76981571
methyl 3-chloro-4-[(Z)-N'-hydroxycarbamimidoyl]benzoate
CID 121432519
4-amino-2-chloro-N'-hydroxybenzenecarboximidamide
CID 58182009
2-chloro-4-[(2-fluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77013685
2-amino-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)benzamide
CID 102722552
2-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybenzenecarboximidamide
CID 76981546
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide (CID 102722285) is 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1ccc(OC(C(F)(F)F)C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide?
The InChIKey is AJJBZLFJGOMUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF6N2O2/c11-6-3-4(1-2-5(6)7(18)19-20)21-8(9(12,13)14)10(15,16)17/h1-3,8,20H,(H2,18,19).
What are the key properties of 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide?
2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide has a molecular weight of 336.62 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102722285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).