(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol

C9H10BrF2NO — CID 131090979

IUPAC(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(F)cc(Br)cc1F
InChIInChI=1S/C9H10BrF2NO/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
InChIKeySLLWSLBNEUJEGC-MRVPVSSYSA-N
MW266.08 g/mol
LogP2.11
Rot. Bonds3

About (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol

(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol (PubChem CID 131090979) has the molecular formula C9H10BrF2NO and a molecular weight of 266.08 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
PubChem CID131090979
Molecular FormulaC9H10BrF2NO
Molecular Weight266.08 g/mol
Exact Mass264.99
IUPAC Name(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1c(F)cc(Br)cc1F
InChIInChI=1S/C9H10BrF2NO/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
InChIKeySLLWSLBNEUJEGC-MRVPVSSYSA-N
XLogP2.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.08
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-3-(2,4-dibromo-6-fluorophenyl)propan-1-ol
CID 130774352
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171206699
(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171206711
1-(4-bromo-2,6-difluorophenyl)pent-4-yn-1-amine
CID 115859648
(3R)-3-amino-3-(2,6-difluoro-4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171215813
3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 55272447
3-amino-3-(4-bromo-2,6-difluorophenyl)propanoic acid
CID 117449260
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667
2-[(1R)-1-amino-3-hydroxypropyl]-3,5-difluorophenol;hydrochloride
CID 171256534

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol (CID 131090979) is (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol is N[C@H](CCO)c1c(F)cc(Br)cc1F.
What is the InChIKey of (3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol?
The InChIKey is SLLWSLBNEUJEGC-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10BrF2NO/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-(4-bromo-2,6-difluorophenyl)propan-1-ol?
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol has a molecular weight of 266.08 g/mol, XLogP of 2.11, 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-(4-bromo-2,6-difluorophenyl)propan-1-ol is sourced from PubChem (CID 131090979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).