2-fluoro-6-(nitrosomethyl)phenol

C7H6FNO2 — CID 91467054

IUPAC2-fluoro-6-(nitrosomethyl)phenol
SMILESO=NCc1cccc(F)c1O
InChIInChI=1S/C7H6FNO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-3,10H,4H2
InChIKeyBLLNPWHQQNZKHP-UHFFFAOYSA-N
MW155.13 g/mol
LogP1.80
Rot. Bonds2

About 2-fluoro-6-(nitrosomethyl)phenol

2-fluoro-6-(nitrosomethyl)phenol (PubChem CID 91467054) has the molecular formula C7H6FNO2 and a molecular weight of 155.13 g/mol. Its IUPAC name is 2-fluoro-6-(nitrosomethyl)phenol.

Molecular Properties

Compound Name2-fluoro-6-(nitrosomethyl)phenol
PubChem CID91467054
Molecular FormulaC7H6FNO2
Molecular Weight155.13 g/mol
Exact Mass155.04
IUPAC Name2-fluoro-6-(nitrosomethyl)phenol
SMILESO=NCc1cccc(F)c1O
InChIInChI=1S/C7H6FNO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-3,10H,4H2
InChIKeyBLLNPWHQQNZKHP-UHFFFAOYSA-N
XLogP1.80
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-(nitrosomethyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(bromomethyl)-6-fluorophenol
CID 86086661
3-(3-fluoro-2-hydroxyphenyl)propanal
CID 117276587
bis(2,6-difluorophenol);zirconium
CID 161409047
2-(4-aminobutyl)-6-fluorophenol
CID 117279586
2-(3-fluoro-2-hydroxyphenyl)ethanimidamide
CID 83676622
2-fluoro-6-[[methyl(propan-2-yl)amino]methyl]phenol
CID 112616072
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]-2-methylpropanamide
CID 112606293
2-fluoro-6-[(3-methylbutan-2-ylamino)methyl]phenol
CID 112606368
N-[2-[(3-fluoro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 112606322
2,6-difluorophenol;2-fluorophenol
CID 160898350
2-[[ethyl(propan-2-yl)amino]methyl]-6-fluorophenol
CID 112616088
2-[[ethyl(propyl)amino]methyl]-6-fluorophenol
CID 112616084

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(nitrosomethyl)phenol?
The IUPAC name of 2-fluoro-6-(nitrosomethyl)phenol (CID 91467054) is 2-fluoro-6-(nitrosomethyl)phenol.
What is the SMILES notation for 2-fluoro-6-(nitrosomethyl)phenol?
The canonical SMILES for 2-fluoro-6-(nitrosomethyl)phenol is O=NCc1cccc(F)c1O.
What is the InChIKey of 2-fluoro-6-(nitrosomethyl)phenol?
The InChIKey is BLLNPWHQQNZKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2/c8-6-3-1-2-5(4-9-11)7(6)10/h1-3,10H,4H2.
What are the key properties of 2-fluoro-6-(nitrosomethyl)phenol?
2-fluoro-6-(nitrosomethyl)phenol has a molecular weight of 155.13 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(nitrosomethyl)phenol is sourced from PubChem (CID 91467054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).