(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride

C13H20ClF2NO — CID 171240277

IUPAC(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCC(C)(C)c1ccc([C@@H](N)C(F)(F)CO)cc1.Cl
InChIInChI=1S/C13H19F2NO.ClH/c1-12(2,3)10-6-4-9(5-7-10)11(16)13(14,15)8-17;/h4-7,11,17H,8,16H2,1-3H3;1H/t11-;/m1./s1
InChIKeyZMDVJUDCNFGHLN-RFVHGSKJSA-N
MW279.76 g/mol
LogP3.03
Rot. Bonds3

About (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride

(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride (PubChem CID 171240277) has the molecular formula C13H20ClF2NO and a molecular weight of 279.76 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
PubChem CID171240277
Molecular FormulaC13H20ClF2NO
Molecular Weight279.76 g/mol
Exact Mass279.12
IUPAC Name(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride
SMILESCC(C)(C)c1ccc([C@@H](N)C(F)(F)CO)cc1.Cl
InChIInChI=1S/C13H19F2NO.ClH/c1-12(2,3)10-6-4-9(5-7-10)11(16)13(14,15)8-17;/h4-7,11,17H,8,16H2,1-3H3;1H/t11-;/m1./s1
InChIKeyZMDVJUDCNFGHLN-RFVHGSKJSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.76
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-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

(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
CID 171250401
(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
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171238859
(2S)-2-amino-2-(4-tert-butylphenyl)ethanol;hydrochloride
CID 135564298
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171238873
(2R)-2-amino-2-(4-tert-butylphenyl)ethanol
CID 55278122
(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 131561206
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
CID 171248414
(3R)-3-amino-3-[4-(benzylamino)phenyl]-2,2-difluoropropan-1-ol
CID 171240157
ethyl (3S)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171246981

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride (CID 171240277) is (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride is CC(C)(C)c1ccc([C@@H](N)C(F)(F)CO)cc1.Cl.
What is the InChIKey of (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride?
The InChIKey is ZMDVJUDCNFGHLN-RFVHGSKJSA-N. The full InChI is InChI=1S/C13H19F2NO.ClH/c1-12(2,3)10-6-4-9(5-7-10)11(16)13(14,15)8-17;/h4-7,11,17H,8,16H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride?
(3R)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride has a molecular weight of 279.76 g/mol, XLogP of 3.03, 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-tert-butylphenyl)-2,2-difluoropropan-1-ol;hydrochloride is sourced from PubChem (CID 171240277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).