(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride

C10H14ClF2NO2 — CID 171239899

IUPAC(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc([C@@H](N)C(F)(F)CO)cc1.Cl
InChIInChI=1S/C10H13F2NO2.ClH/c1-15-8-4-2-7(3-5-8)9(13)10(11,12)6-14;/h2-5,9,14H,6,13H2,1H3;1H/t9-;/m1./s1
InChIKeyHOPWSSKQTXAQCP-SBSPUUFOSA-N
MW253.68 g/mol
LogP1.74
Rot. Bonds4

About (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride

(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride (PubChem CID 171239899) has the molecular formula C10H14ClF2NO2 and a molecular weight of 253.68 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
PubChem CID171239899
Molecular FormulaC10H14ClF2NO2
Molecular Weight253.68 g/mol
Exact Mass253.07
IUPAC Name(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
SMILESCOc1ccc([C@@H](N)C(F)(F)CO)cc1.Cl
InChIInChI=1S/C10H13F2NO2.ClH/c1-15-8-4-2-7(3-5-8)9(13)10(11,12)6-14;/h2-5,9,14H,6,13H2,1H3;1H/t9-;/m1./s1
InChIKeyHOPWSSKQTXAQCP-SBSPUUFOSA-N
XLogP1.74
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.68
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-amino-2,2-difluoro-3-(4-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-3-(3,5-dimethoxyphenyl)-2,2-difluoropropan-1-ol
CID 171239433
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
CID 171248414
(3R)-3-amino-2,2-difluoro-3-(3-methoxyphenyl)propan-1-ol
CID 171239633
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240277
(3S)-3-amino-3-(4-bromophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171246158
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]phenol
CID 131102833
(3S)-3-amino-2,2-difluoro-3-[4-methoxy-2-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 171249128
(3R)-3-amino-2,2-difluoro-3-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 171241583
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171238859
(3S)-3-amino-2,2-difluoro-3-(3,4,5-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 171246127
(3R)-3-amino-2,2-difluoro-3-(4-phenylmethoxyphenyl)propan-1-ol
CID 171243439

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride (CID 171239899) is (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride is COc1ccc([C@@H](N)C(F)(F)CO)cc1.Cl.
What is the InChIKey of (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride?
The InChIKey is HOPWSSKQTXAQCP-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13F2NO2.ClH/c1-15-8-4-2-7(3-5-8)9(13)10(11,12)6-14;/h2-5,9,14H,6,13H2,1H3;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride has a molecular weight of 253.68 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171239899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).