(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol

C11H14BrF2NO3 — CID 171244525

IUPAC(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
SMILESCOc1cc([C@@H](N)C(F)(F)CO)c(OC)cc1Br
InChIInChI=1S/C11H14BrF2NO3/c1-17-8-4-7(12)9(18-2)3-6(8)10(15)11(13,14)5-16/h3-4,10,16H,5,15H2,1-2H3/t10-/m1/s1
InChIKeyXFCGLJKIFWCQNR-SNVBAGLBSA-N
MW326.14 g/mol
LogP2.09
Rot. Bonds5

About (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol

(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol (PubChem CID 171244525) has the molecular formula C11H14BrF2NO3 and a molecular weight of 326.14 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
PubChem CID171244525
Molecular FormulaC11H14BrF2NO3
Molecular Weight326.14 g/mol
Exact Mass325.01
IUPAC Name(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
SMILESCOc1cc([C@@H](N)C(F)(F)CO)c(OC)cc1Br
InChIInChI=1S/C11H14BrF2NO3/c1-17-8-4-7(12)9(18-2)3-6(8)10(15)11(13,14)5-16/h3-4,10,16H,5,15H2,1-2H3/t10-/m1/s1
InChIKeyXFCGLJKIFWCQNR-SNVBAGLBSA-N
XLogP2.09
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171239383
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol
CID 171251040
(1R)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312687
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311975
(3S)-3-amino-3-(2-bromo-5-methoxyphenyl)-2,2-difluoropropan-1-ol
CID 171248012
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171254342
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171246564
(3R)-3-amino-2,2-difluoro-3-(2-methoxyphenyl)propan-1-ol
CID 171239731
(1S)-1-(4-bromo-2,5-dimethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171214686
(4R)-4-amino-4-(4-bromo-2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171214742
1-(4-bromo-2,5-dimethoxyphenyl)-3,3,3-trifluoropropan-1-ol
CID 105057029
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-4-fluoro-6-methoxyphenol
CID 171256039

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol (CID 171244525) is (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol is COc1cc([C@@H](N)C(F)(F)CO)c(OC)cc1Br.
What is the InChIKey of (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol?
The InChIKey is XFCGLJKIFWCQNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14BrF2NO3/c1-17-8-4-7(12)9(18-2)3-6(8)10(15)11(13,14)5-16/h3-4,10,16H,5,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol?
(3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol has a molecular weight of 326.14 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 171244525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).