2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol

C9H11F2NO — CID 131052800

IUPAC2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c([C@@H](N)CF)c1
InChIInChI=1S/C9H11F2NO/c1-5-2-6(8(12)4-10)9(13)7(11)3-5/h2-3,8,13H,4,12H2,1H3/t8-/m0/s1
InChIKeyDVFQCWYHXHVKIU-QMMMGPOBSA-N
MW187.19 g/mol
LogP1.81
Rot. Bonds2

About 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol

2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol (PubChem CID 131052800) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol
PubChem CID131052800
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c([C@@H](N)CF)c1
InChIInChI=1S/C9H11F2NO/c1-5-2-6(8(12)4-10)9(13)7(11)3-5/h2-3,8,13H,4,12H2,1H3/t8-/m0/s1
InChIKeyDVFQCWYHXHVKIU-QMMMGPOBSA-N
XLogP1.81
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol 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-[(1S)-1-aminoprop-2-enyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253734
2-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-6-fluoro-4-methylphenol
CID 131583246
2-(1-amino-3-methylbutan-2-yl)-6-fluoro-4-methylphenol
CID 83885476
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
3-[(1R)-1-amino-2-fluoroethyl]-5-fluoro-4-hydroxybenzoic acid;hydrochloride
CID 171256114
methyl (2S)-2-amino-2-(3-fluoro-2-hydroxy-5-methylphenyl)acetate
CID 131420968
2-[(R)-amino(cyclopropyl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257092
2,6-difluoro-4-methylphenol;rutherfordium
CID 59884291
6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol
CID 130059268
2-[(R)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171253754
2-[(S)-amino(thiophen-2-yl)methyl]-6-fluoro-4-methylphenol;hydrochloride
CID 171257098
3-amino-3-(3-fluoro-2,5-dimethylphenyl)propan-1-ol
CID 84774435

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol?
The IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol (CID 131052800) is 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol?
The canonical SMILES for 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol is Cc1cc(F)c(O)c([C@@H](N)CF)c1.
What is the InChIKey of 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol?
The InChIKey is DVFQCWYHXHVKIU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5-2-6(8(12)4-10)9(13)7(11)3-5/h2-3,8,13H,4,12H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol?
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol has a molecular weight of 187.19 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol is sourced from PubChem (CID 131052800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).