(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride

C10H14ClF2NO — CID 171250401

IUPAC(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
SMILESCc1ccc([C@H](N)C(F)(F)CO)cc1.Cl
InChIInChI=1S/C10H13F2NO.ClH/c1-7-2-4-8(5-3-7)9(13)10(11,12)6-14;/h2-5,9,14H,6,13H2,1H3;1H/t9-;/m0./s1
InChIKeyWTVFKWXWVBWYDX-FVGYRXGTSA-N
MW237.68 g/mol
LogP2.04
Rot. Bonds3

About (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride

(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride (PubChem CID 171250401) has the molecular formula C10H14ClF2NO and a molecular weight of 237.68 g/mol. Its IUPAC name is (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
PubChem CID171250401
Molecular FormulaC10H14ClF2NO
Molecular Weight237.68 g/mol
Exact Mass237.07
IUPAC Name(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride
SMILESCc1ccc([C@H](N)C(F)(F)CO)cc1.Cl
InChIInChI=1S/C10H13F2NO.ClH/c1-7-2-4-8(5-3-7)9(13)10(11,12)6-14;/h2-5,9,14H,6,13H2,1H3;1H/t9-;/m0./s1
InChIKeyWTVFKWXWVBWYDX-FVGYRXGTSA-N
XLogP2.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.68
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(3R)-3-amino-2,2-difluoro-3-(4-methoxyphenyl)propan-1-ol;hydrochloride
CID 171239899
(3R)-3-amino-3-(3,4-dimethylphenyl)-2,2-difluoropropan-1-ol
CID 131561206
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzoic acid;hydrochloride
CID 171238859
4-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]benzonitrile;hydrochloride
CID 171238873
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822
(3S)-3-amino-3-[4-(difluoromethoxy)phenyl]-2,2-difluoropropan-1-ol
CID 171248414
(3S)-3-amino-2,2-difluoro-3-(2-fluoro-4-methylphenyl)propan-1-ol
CID 131503878
(3R)-3-amino-2,2-difluoro-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 171245296
(3S)-3-amino-3-(2-bromo-4-methylphenyl)-2,2-difluoropropan-1-ol
CID 131483084

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride (CID 171250401) is (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride is Cc1ccc([C@H](N)C(F)(F)CO)cc1.Cl.
What is the InChIKey of (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride?
The InChIKey is WTVFKWXWVBWYDX-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H13F2NO.ClH/c1-7-2-4-8(5-3-7)9(13)10(11,12)6-14;/h2-5,9,14H,6,13H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride?
(3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride has a molecular weight of 237.68 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-difluoro-3-(4-methylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171250401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).