(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride

C10H13ClF3NO2 — CID 171248235

IUPAC(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cccc([C@H](N)C(F)(F)CO)c1F.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-7-4-2-3-6(8(7)11)9(14)10(12,13)5-15;/h2-4,9,15H,5,14H2,1H3;1H/t9-;/m0./s1
InChIKeyYEOFLAJQWDTKLO-FVGYRXGTSA-N
MW271.67 g/mol
LogP1.88
Rot. Bonds4

About (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride

(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 171248235) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride
PubChem CID171248235
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC Name(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1cccc([C@H](N)C(F)(F)CO)c1F.Cl
InChIInChI=1S/C10H12F3NO2.ClH/c1-16-7-4-2-3-6(8(7)11)9(14)10(12,13)5-15;/h2-4,9,15H,5,14H2,1H3;1H/t9-;/m0./s1
InChIKeyYEOFLAJQWDTKLO-FVGYRXGTSA-N
XLogP1.88
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-amino-2,2-difluoro-3-(2-methoxyphenyl)propan-1-ol
CID 171239731
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
CID 171243718
(3S)-3-amino-3-(3-bromo-2-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247629
(3S)-3-amino-3-(2-ethoxyphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171247121
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol
CID 171251040
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylpropan-1-amine
CID 82807508
(3R)-3-amino-2,2-difluoro-3-(2,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171239383
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-methoxyphenol;hydrochloride
CID 171246564
1-(2-fluoro-3-methoxyphenyl)propan-1-amine;hydrochloride
CID 167713058
(1R,2S)-1-amino-1-(2-fluoro-3-methoxyphenyl)propan-2-ol;hydrochloride
CID 171262633
(1S,2R)-1-amino-1-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-ol;hydrochloride
CID 171268318
(3R)-3-amino-3-[2-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol;hydrochloride
CID 171243512

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride (CID 171248235) is (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride is COc1cccc([C@H](N)C(F)(F)CO)c1F.Cl.
What is the InChIKey of (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is YEOFLAJQWDTKLO-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H12F3NO2.ClH/c1-16-7-4-2-3-6(8(7)11)9(14)10(12,13)5-15;/h2-4,9,15H,5,14H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride?
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 271.67 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-difluoro-3-(2-fluoro-3-methoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171248235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).