6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol

C8H8BrClFNO — CID 131093400

IUPAC6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol
SMILESNC(CF)c1ccc(Cl)c(Br)c1O
InChIInChI=1S/C8H8BrClFNO/c9-7-5(10)2-1-4(8(7)13)6(12)3-11/h1-2,6,13H,3,12H2
InChIKeyDMBOVNYDEGHAIG-UHFFFAOYSA-N
MW268.51 g/mol
LogP2.78
Rot. Bonds2

About 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol

6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol (PubChem CID 131093400) has the molecular formula C8H8BrClFNO and a molecular weight of 268.51 g/mol. Its IUPAC name is 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol.

Molecular Properties

Compound Name6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol
PubChem CID131093400
Molecular FormulaC8H8BrClFNO
Molecular Weight268.51 g/mol
Exact Mass266.95
IUPAC Name6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol
SMILESNC(CF)c1ccc(Cl)c(Br)c1O
InChIInChI=1S/C8H8BrClFNO/c9-7-5(10)2-1-4(8(7)13)6(12)3-11/h1-2,6,13H,3,12H2
InChIKeyDMBOVNYDEGHAIG-UHFFFAOYSA-N
XLogP2.78
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.51
LogP ≤ 52.78
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

2-bromo-3-chloro-6-[(1R)-1,2-diaminoethyl]phenol
CID 130863163
6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
CID 171257157
2-bromo-3-chloro-6-[(1R)-1,3-diaminopropyl]phenol;hydrochloride
CID 171257185
6-[(S)-amino(cyclopropyl)methyl]-2-bromo-3-chlorophenol
CID 130849466
2-[(1S)-1-amino-2-fluoroethyl]-6-bromo-3-chlorophenol;hydrochloride
CID 171256337
2-[(1R)-1-amino-2-fluoroethyl]-4-bromo-6-chlorophenol;hydrochloride
CID 171253267
3-chloro-6-[(1S)-1,2-diaminoethyl]-2-methylphenol
CID 66517046
3-[(1R)-1-amino-2-fluoroethyl]benzene-1,2-diol
CID 131172415
6-[(1R)-1-aminobut-3-enyl]-2-bromo-3-fluorophenol
CID 131211532
6-[(1S)-1-aminobut-3-enyl]-2-bromo-3-fluorophenol
CID 130806138
2-(1-amino-2-fluoroethyl)-4,6-dichlorophenol
CID 130059324
2-[(1R)-1-amino-2-fluoroethyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253706

Frequently Asked Questions

What is the IUPAC name of 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol?
The IUPAC name of 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol (CID 131093400) is 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol.
What is the SMILES notation for 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol?
The canonical SMILES for 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol is NC(CF)c1ccc(Cl)c(Br)c1O.
What is the InChIKey of 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol?
The InChIKey is DMBOVNYDEGHAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFNO/c9-7-5(10)2-1-4(8(7)13)6(12)3-11/h1-2,6,13H,3,12H2.
What are the key properties of 6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol?
6-(1-amino-2-fluoroethyl)-2-bromo-3-chlorophenol has a molecular weight of 268.51 g/mol, XLogP of 2.78, 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)-2-bromo-3-chlorophenol is sourced from PubChem (CID 131093400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).