(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride

C7H8ClF2NO — CID 10488096

IUPAC(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride
SMILES[Cl-].[NH3+]Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C7H7F2NO.ClH/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H,3,10H2;1H
InChIKeyXOEPDSROAPOYDB-UHFFFAOYSA-N
MW195.60 g/mol
LogP-2.58
Rot. Bonds1

About (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride

(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride (PubChem CID 10488096) has the molecular formula C7H8ClF2NO and a molecular weight of 195.60 g/mol. Its IUPAC name is (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride.

Molecular Properties

Compound Name(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride
PubChem CID10488096
Molecular FormulaC7H8ClF2NO
Molecular Weight195.60 g/mol
Exact Mass195.03
IUPAC Name(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride
SMILES[Cl-].[NH3+]Cc1cc(F)c(O)c(F)c1
InChIInChI=1S/C7H7F2NO.ClH/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H,3,10H2;1H
InChIKeyXOEPDSROAPOYDB-UHFFFAOYSA-N
XLogP-2.58
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.60
LogP ≤ 5-2.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(dimethylamino)methyl]-2,6-difluorophenol
CID 82977010
(3,4-difluorophenyl)methylazanium
CID 6951691
1,5-bis(3,5-difluoro-4-hydroxyphenyl)pentan-3-one
CID 141151688
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
2,6-difluoro-4-[(methoxyamino)methyl]phenol
CID 82707251
(4-chloro-3-fluorophenyl)methylazanium
CID 7015596
methanol;2,4,6-trifluorophenol
CID 145053745
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
2-[(3,5-difluoro-4-hydroxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107850693
4-(3,5-difluoro-4-hydroxyphenyl)butanoic acid
CID 117307682
2,6-difluoro-4-(3-hydroxyprop-1-ynyl)phenol
CID 169484963
2-amino-6-fluoro-4-(fluoromethyl)phenol
CID 171811229

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride?
The IUPAC name of (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride (CID 10488096) is (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride.
What is the SMILES notation for (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride?
The canonical SMILES for (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride is [Cl-].[NH3+]Cc1cc(F)c(O)c(F)c1.
What is the InChIKey of (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride?
The InChIKey is XOEPDSROAPOYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO.ClH/c8-5-1-4(3-10)2-6(9)7(5)11;/h1-2,11H,3,10H2;1H.
What are the key properties of (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride?
(3,5-difluoro-4-hydroxyphenyl)methylazanium chloride has a molecular weight of 195.60 g/mol, XLogP of -2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-hydroxyphenyl)methylazanium chloride is sourced from PubChem (CID 10488096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).