(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride

C12H20ClF2NOSi — CID 171313104

IUPAC(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)CC(F)F)cc1.Cl
InChIInChI=1S/C12H19F2NOSi.ClH/c1-17(2,3)16-10-6-4-9(5-7-10)11(15)8-12(13)14;/h4-7,11-12H,8,15H2,1-3H3;1H/t11-;/m0./s1
InChIKeyYYSCSGGUOSIHQB-MERQFXBCSA-N
MW295.83 g/mol
LogP3.98
Rot. Bonds5

About (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride

(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride (PubChem CID 171313104) has the molecular formula C12H20ClF2NOSi and a molecular weight of 295.83 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
PubChem CID171313104
Molecular FormulaC12H20ClF2NOSi
Molecular Weight295.83 g/mol
Exact Mass295.10
IUPAC Name(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)CC(F)F)cc1.Cl
InChIInChI=1S/C12H19F2NOSi.ClH/c1-17(2,3)16-10-6-4-9(5-7-10)11(15)8-12(13)14;/h4-7,11-12H,8,15H2,1-3H3;1H/t11-;/m0./s1
InChIKeyYYSCSGGUOSIHQB-MERQFXBCSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.83
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872
(1S)-1-(4-trimethylsilyloxyphenyl)pentan-1-amine;hydrochloride
CID 171226877
(1R)-3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]propan-1-amine;hydrochloride
CID 171313749
[4-[(1S)-1-amino-3,3-difluoropropyl]phenyl] acetate;hydrochloride
CID 171313184
(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111
(1S)-3,3-difluoro-1-(4-methylphenyl)propan-1-amine
CID 131389625
(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263199
(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263209
ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
CID 171248851
trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887552

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride?
The IUPAC name of (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride (CID 171313104) is (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride is C[Si](C)(C)Oc1ccc([C@@H](N)CC(F)F)cc1.Cl.
What is the InChIKey of (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride?
The InChIKey is YYSCSGGUOSIHQB-MERQFXBCSA-N. The full InChI is InChI=1S/C12H19F2NOSi.ClH/c1-17(2,3)16-10-6-4-9(5-7-10)11(15)8-12(13)14;/h4-7,11-12H,8,15H2,1-3H3;1H/t11-;/m0./s1.
What are the key properties of (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride?
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride has a molecular weight of 295.83 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171313104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).