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

C11H15F2NO3 — CID 171239433

IUPAC(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
SMILESCOc1cc(OC)cc([C@@H](N)C(F)(F)CO)c1
InChIInChI=1S/C11H15F2NO3/c1-16-8-3-7(4-9(5-8)17-2)10(14)11(12,13)6-15/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1
InChIKeyFRXRKMHXLUVCRL-SNVBAGLBSA-N
MW247.24 g/mol
LogP1.33
Rot. Bonds5

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

(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol (PubChem CID 171239433) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
PubChem CID171239433
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
SMILESCOc1cc(OC)cc([C@@H](N)C(F)(F)CO)c1
InChIInChI=1S/C11H15F2NO3/c1-16-8-3-7(4-9(5-8)17-2)10(14)11(12,13)6-15/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1
InChIKeyFRXRKMHXLUVCRL-SNVBAGLBSA-N
XLogP1.33
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
(3S)-3-amino-2,2-difluoro-3-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171246127
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171254342
(3R)-3-amino-2,2-difluoro-3-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 171241583
(3R)-3-amino-2,2-difluoro-3-(3,4,5-trifluorophenyl)propan-1-ol
CID 131480893
(3R)-3-amino-3-(3-ethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171241497
(3S)-3-amino-3-(2-bromo-5-methoxyphenyl)-2,2-difluoropropan-1-ol
CID 171248012
(3S)-3-amino-2,2-difluoro-3-(3,4,5-trifluorophenyl)propan-1-ol;hydrochloride
CID 171248283
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
1-(3,5-dimethoxyphenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312157
(3R)-3-amino-2,2-difluoro-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171239383

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol?
The IUPAC name of (3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol (CID 171239433) is (3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol is COc1cc(OC)cc([C@@H](N)C(F)(F)CO)c1.
What is the InChIKey of (3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol?
The InChIKey is FRXRKMHXLUVCRL-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-16-8-3-7(4-9(5-8)17-2)10(14)11(12,13)6-15/h3-5,10,15H,6,14H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol?
(3R)-3-amino-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol has a molecular weight of 247.24 g/mol, XLogP of 1.33, 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-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 171239433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).