(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol

C9H10Br2FNO — CID 130804227

IUPAC(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(Br)ccc(Br)c1F
InChIInChI=1S/C9H10Br2FNO/c10-5-1-2-6(11)9(12)8(5)7(13)3-4-14/h1-2,7,14H,3-4,13H2/t7-/m1/s1
InChIKeySYBTUOQZDPLEKM-SSDOTTSWSA-N
MW326.99 g/mol
LogP2.73
Rot. Bonds3

About (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol

(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol (PubChem CID 130804227) has the molecular formula C9H10Br2FNO and a molecular weight of 326.99 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
PubChem CID130804227
Molecular FormulaC9H10Br2FNO
Molecular Weight326.99 g/mol
Exact Mass324.91
IUPAC Name(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(Br)ccc(Br)c1F
InChIInChI=1S/C9H10Br2FNO/c10-5-1-2-6(11)9(12)8(5)7(13)3-4-14/h1-2,7,14H,3-4,13H2/t7-/m1/s1
InChIKeySYBTUOQZDPLEKM-SSDOTTSWSA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.99
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
CID 84714745
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(3R)-3-amino-3-(2,3,4,5,6-pentafluorophenyl)propan-1-ol
CID 131334834
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
CID 130774352
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromo-2-hydroxybenzoic acid
CID 171257975
2-[(1R)-1-amino-3-hydroxypropyl]-6-bromo-3-chlorophenol
CID 131117949
(1R)-1-(3-bromo-2,6-difluorophenyl)-4-methylpentan-1-amine
CID 171205160
4-amino-4-(6-bromo-2-fluoro-3-methylphenyl)butanoic acid
CID 117468254
1-(3-bromo-2,6-difluorophenyl)pentan-1-amine
CID 103947002
1-(3-bromo-2,6-difluorophenyl)-3-methylsulfanylpropan-1-amine
CID 106944684

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol (CID 130804227) is (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol is N[C@H](CCO)c1c(Br)ccc(Br)c1F.
What is the InChIKey of (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol?
The InChIKey is SYBTUOQZDPLEKM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10Br2FNO/c10-5-1-2-6(11)9(12)8(5)7(13)3-4-14/h1-2,7,14H,3-4,13H2/t7-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol?
(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol has a molecular weight of 326.99 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 130804227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).