2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol

C9H10BrF2NO — CID 164658455

IUPAC2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1ccc(Br)c(F)c1F
InChIInChI=1S/C9H10BrF2NO/c1-4(13)9(14)5-2-3-6(10)8(12)7(5)11/h2-4,9,14H,13H2,1H3
InChIKeyNZHUDJDPMBLFSG-UHFFFAOYSA-N
MW266.09 g/mol
LogP2.11
Rot. Bonds2

About 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol

2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol (PubChem CID 164658455) has the molecular formula C9H10BrF2NO and a molecular weight of 266.09 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
PubChem CID164658455
Molecular FormulaC9H10BrF2NO
Molecular Weight266.09 g/mol
Exact Mass264.99
IUPAC Name2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol
SMILESCC(N)C(O)c1ccc(Br)c(F)c1F
InChIInChI=1S/C9H10BrF2NO/c1-4(13)9(14)5-2-3-6(10)8(12)7(5)11/h2-4,9,14H,13H2,1H3
InChIKeyNZHUDJDPMBLFSG-UHFFFAOYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 52.11
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

2-amino-1-(2,3-difluorophenyl)propan-1-ol
CID 63669406
4-(2-amino-1-hydroxypropyl)-2-fluorobenzene-1,3-diol
CID 84776108
2-(4-bromo-2,3-difluorophenyl)-2-hydroxyacetic acid
CID 117420924
2-amino-1-(2-bromo-4-methoxyphenyl)propan-1-ol
CID 82623845
2-amino-1-(5-bromo-4-chloro-2-fluorophenyl)propan-1-ol
CID 84812511
(1S)-1-amino-1-(3-bromo-2,6-difluorophenyl)propan-2-ol
CID 130612106
4-(2-amino-1-hydroxypropyl)-2-bromo-3-methylphenol
CID 84806446
5-(2-amino-1-hydroxypropyl)-3-bromo-2-fluorophenol
CID 84807316
2-(1-aminoethyl)-4-bromo-3-fluorophenol
CID 84697321
6-[(1R)-1-amino-2,2-difluoroethyl]-3-bromo-2-fluorophenol
CID 131150588
2-amino-1-(4-bromo-2-methoxyphenyl)propan-1-ol
CID 82623849
(1S,2R)-2-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-ol
CID 131356033

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol?
The IUPAC name of 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol (CID 164658455) is 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol is CC(N)C(O)c1ccc(Br)c(F)c1F.
What is the InChIKey of 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol?
The InChIKey is NZHUDJDPMBLFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/c1-4(13)9(14)5-2-3-6(10)8(12)7(5)11/h2-4,9,14H,13H2,1H3.
What are the key properties of 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol?
2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol has a molecular weight of 266.09 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-2,3-difluorophenyl)propan-1-ol is sourced from PubChem (CID 164658455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).