(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol

C9H10Br2FNO — CID 130774352

IUPAC(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(F)cc(Br)cc1Br
InChIInChI=1S/C9H10Br2FNO/c10-5-3-6(11)9(7(12)4-5)8(13)1-2-14/h3-4,8,14H,1-2,13H2/t8-/m1/s1
InChIKeyAKQGJBKYCMGCBZ-MRVPVSSYSA-N
MW326.99 g/mol
LogP2.73
Rot. Bonds3

About (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol

(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol (PubChem CID 130774352) has the molecular formula C9H10Br2FNO and a molecular weight of 326.99 g/mol. Its IUPAC name is (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
PubChem CID130774352
Molecular FormulaC9H10Br2FNO
Molecular Weight326.99 g/mol
Exact Mass324.91
IUPAC Name(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(F)cc(Br)cc1Br
InChIInChI=1S/C9H10Br2FNO/c10-5-3-6(11)9(7(12)4-5)8(13)1-2-14/h3-4,8,14H,1-2,13H2/t8-/m1/s1
InChIKeyAKQGJBKYCMGCBZ-MRVPVSSYSA-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

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Related Compounds

(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
1-(2,4-dibromo-6-fluorophenyl)butane-1,2,4-triol
CID 171873416
(3S)-3-amino-3-(2-bromo-6-fluorophenyl)propan-1-ol;hydrochloride
CID 171223240
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171206699
(3R)-3-amino-3-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 130804227
(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171206711
2-[(1S)-1-amino-3-hydroxypropyl]-3-bromo-6-fluorophenol;hydrochloride
CID 171253035
2-[(1R)-1-amino-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256534
3-amino-3-(2-bromo-4,6-dimethylphenyl)propan-1-ol
CID 84805872
1-(4-bromo-2,6-difluorophenyl)pent-4-yn-1-amine
CID 115859648

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol (CID 130774352) is (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol is N[C@H](CCO)c1c(F)cc(Br)cc1Br.
What is the InChIKey of (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol?
The InChIKey is AKQGJBKYCMGCBZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10Br2FNO/c10-5-3-6(11)9(7(12)4-5)8(13)1-2-14/h3-4,8,14H,1-2,13H2/t8-/m1/s1.
What are the key properties of (3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol?
(3R)-3-amino-3-(2,4-dibromo-6-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-(2,4-dibromo-6-fluorophenyl)propan-1-ol is sourced from PubChem (CID 130774352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).