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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Related Compounds

4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986
2,6-difluoro-3-[(hydroxyamino)methyl]phenol
CID 117277165
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925
N-[(4-chloro-5-fluoro-2-methylphenyl)methyl]hydroxylamine
CID 84771311
4-chloro-6-[(hydroxyamino)methyl]-2,3-dihydro-1H-inden-5-ol
CID 117304611
N-[(4-bromo-2,3,5-trifluorophenyl)methyl]hydroxylamine
CID 117111115
3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
CID 84804289
3-chloro-1,2,4-trifluoro-5-(fluoromethyl)benzene
CID 151451275
N-[(5-chloro-2-fluoro-4-methylphenyl)methyl]hydroxylamine
CID 117281709
2-(3,4-dichloro-5-fluoro-2-hydroxyphenyl)acetic acid
CID 83898337
4-chloro-2-[(hydroxyamino)methyl]-6-propan-2-ylphenol
CID 117307336
N-[[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]methyl]hydroxylamine
CID 117311837

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).