2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol

C7H6ClF2NO2 — CID 84780927

IUPAC2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
SMILESONCc1cc(F)c(F)c(Cl)c1O
InChIInChI=1S/C7H6ClF2NO2/c8-5-6(10)4(9)1-3(2-11-13)7(5)12/h1,11-13H,2H2
InChIKeyVDLXYDUOEAKXIO-UHFFFAOYSA-N
MW209.58 g/mol
LogP1.80
Rot. Bonds2

About 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol

2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol (PubChem CID 84780927) has the molecular formula C7H6ClF2NO2 and a molecular weight of 209.58 g/mol. Its IUPAC name is 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol.

Molecular Properties

Compound Name2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
PubChem CID84780927
Molecular FormulaC7H6ClF2NO2
Molecular Weight209.58 g/mol
Exact Mass209.01
IUPAC Name2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol
SMILESONCc1cc(F)c(F)c(Cl)c1O
InChIInChI=1S/C7H6ClF2NO2/c8-5-6(10)4(9)1-3(2-11-13)7(5)12/h1,11-13H,2H2
InChIKeyVDLXYDUOEAKXIO-UHFFFAOYSA-N
XLogP1.80
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.58
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol?
The IUPAC name of 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol (CID 84780927) is 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol.
What is the SMILES notation for 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol?
The canonical SMILES for 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol is ONCc1cc(F)c(F)c(Cl)c1O.
What is the InChIKey of 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol?
The InChIKey is VDLXYDUOEAKXIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO2/c8-5-6(10)4(9)1-3(2-11-13)7(5)12/h1,11-13H,2H2.
What are the key properties of 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol?
2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol has a molecular weight of 209.58 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,4-difluoro-6-[(hydroxyamino)methyl]phenol is sourced from PubChem (CID 84780927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).