6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol

C9H11F2NO — CID 130059268

IUPAC6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol
SMILESCc1c(F)ccc(C(N)CF)c1O
InChIInChI=1S/C9H11F2NO/c1-5-7(11)3-2-6(9(5)13)8(12)4-10/h2-3,8,13H,4,12H2,1H3
InChIKeyRISGPPWWHQIESG-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.81
Rot. Bonds2

About 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol

6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol (PubChem CID 130059268) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol.

Molecular Properties

Compound Name6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol
PubChem CID130059268
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol
SMILESCc1c(F)ccc(C(N)CF)c1O
InChIInChI=1S/C9H11F2NO/c1-5-7(11)3-2-6(9(5)13)8(12)4-10/h2-3,8,13H,4,12H2,1H3
InChIKeyRISGPPWWHQIESG-UHFFFAOYSA-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'}

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Related Compounds

6-[(1R)-1-aminobutyl]-3-fluoro-2-methylphenol
CID 55274846
6-[(1R)-1-aminoethyl]-3-fluoro-2-methylphenol
CID 55274097
3-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-2-hydroxybenzonitrile;hydrochloride
CID 171256065
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-3-methylphenol;hydrochloride
CID 171253539
2-[(1R)-1-amino-2-fluoroethyl]-6-fluoro-4-methylphenol
CID 131052800
3,6-difluoro-2-methylphenol
CID 66721696
(1S)-2-fluoro-1-(2-fluoro-4-methylphenyl)ethanamine
CID 131226334
3-[(1R)-1-amino-2-fluoroethyl]benzene-1,2-diol
CID 131172415
4-[(1R)-1-aminopropyl]-2-methylbenzene-1,3-diol
CID 131118575
(1S)-1-(4-chloro-2-methylphenyl)-2-fluoroethanamine
CID 124706908
2-amino-6-[(1S)-1-amino-3-methylbut-3-enyl]-3-fluorophenol;hydrochloride
CID 171254074
6-[(1R)-1-amino-3-methylbutyl]-2,3-difluorophenol;hydrochloride
CID 171256473

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol?
The IUPAC name of 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol (CID 130059268) is 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol.
What is the SMILES notation for 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol?
The canonical SMILES for 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol is Cc1c(F)ccc(C(N)CF)c1O.
What is the InChIKey of 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol?
The InChIKey is RISGPPWWHQIESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5-7(11)3-2-6(9(5)13)8(12)4-10/h2-3,8,13H,4,12H2,1H3.
What are the key properties of 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol?
6-(1-amino-2-fluoroethyl)-3-fluoro-2-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 6-(1-amino-2-fluoroethyl)-3-fluoro-2-methylphenol is sourced from PubChem (CID 130059268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).