6-(2-aminoethyl)-4-bromo-2,3-difluorophenol

C8H8BrF2NO — CID 83900500

IUPAC6-(2-aminoethyl)-4-bromo-2,3-difluorophenol
SMILESNCCc1cc(Br)c(F)c(F)c1O
InChIInChI=1S/C8H8BrF2NO/c9-5-3-4(1-2-12)8(13)7(11)6(5)10/h3,13H,1-2,12H2
InChIKeyDVFIZPKPPUNQHF-UHFFFAOYSA-N
MW252.06 g/mol
LogP1.93
Rot. Bonds2

About 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol

6-(2-aminoethyl)-4-bromo-2,3-difluorophenol (PubChem CID 83900500) has the molecular formula C8H8BrF2NO and a molecular weight of 252.06 g/mol. Its IUPAC name is 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol.

Molecular Properties

Compound Name6-(2-aminoethyl)-4-bromo-2,3-difluorophenol
PubChem CID83900500
Molecular FormulaC8H8BrF2NO
Molecular Weight252.06 g/mol
Exact Mass250.98
IUPAC Name6-(2-aminoethyl)-4-bromo-2,3-difluorophenol
SMILESNCCc1cc(Br)c(F)c(F)c1O
InChIInChI=1S/C8H8BrF2NO/c9-5-3-4(1-2-12)8(13)7(11)6(5)10/h3,13H,1-2,12H2
InChIKeyDVFIZPKPPUNQHF-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.06
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(3-aminopropyl)-6-bromo-2,3-difluorophenol
CID 117419034
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CID 117378174
2-(2-aminoethyl)-4-bromo-3,6-difluorophenol
CID 117383018
2-(2-bromo-4,5-difluorophenyl)ethanamine;hydrochloride
CID 170912586
3-(5-bromo-4-fluoro-2,3-dihydroxyphenyl)propanal
CID 117411632
4-bromo-2-fluoro-6-(hydroxymethyl)benzene-1,3-diol
CID 84798374
2-(3-aminopropyl)-4-bromo-5-fluorophenol
CID 83900240
4-bromo-3-fluoro-6-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117382986
5-(2-aminoethyl)benzene-1,2,3,4-tetrol
CID 71395914
6-(2-aminoethyl)-4-fluoro-1,3-benzodioxol-5-ol
CID 117288236
6-(2-aminoethyl)-2,4-difluoro-3-methylsulfonylphenol
CID 117380582
2-(4-aminobutyl)-4-bromo-5-fluorophenol
CID 117409491

Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol?
The IUPAC name of 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol (CID 83900500) is 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol.
What is the SMILES notation for 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol?
The canonical SMILES for 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol is NCCc1cc(Br)c(F)c(F)c1O.
What is the InChIKey of 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol?
The InChIKey is DVFIZPKPPUNQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2NO/c9-5-3-4(1-2-12)8(13)7(11)6(5)10/h3,13H,1-2,12H2.
What are the key properties of 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol?
6-(2-aminoethyl)-4-bromo-2,3-difluorophenol has a molecular weight of 252.06 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-4-bromo-2,3-difluorophenol is sourced from PubChem (CID 83900500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).