(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride

C11H17ClF3NOSi — CID 171242111

IUPAC(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1.Cl
InChIInChI=1S/C11H16F3NOSi.ClH/c1-17(2,3)16-9-6-4-8(5-7-9)10(15)11(12,13)14;/h4-7,10H,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyBTWCEBFCDFKEGO-HNCPQSOCSA-N
MW299.80 g/mol
LogP3.88
Rot. Bonds3

About (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride

(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride (PubChem CID 171242111) has the molecular formula C11H17ClF3NOSi and a molecular weight of 299.80 g/mol. Its IUPAC name is (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
PubChem CID171242111
Molecular FormulaC11H17ClF3NOSi
Molecular Weight299.80 g/mol
Exact Mass299.07
IUPAC Name(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1.Cl
InChIInChI=1S/C11H16F3NOSi.ClH/c1-17(2,3)16-9-6-4-8(5-7-9)10(15)11(12,13)14;/h4-7,10H,15H2,1-3H3;1H/t10-;/m1./s1
InChIKeyBTWCEBFCDFKEGO-HNCPQSOCSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.88
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

(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 171312443
(1S)-2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanamine;hydrochloride
CID 171250019
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
(1S)-2,2,2-trifluoro-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 66511880
[4-[(1R)-1-amino-2,2,2-trifluoroethyl]phenyl] acetate;hydrochloride
CID 171242944
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104
trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887552
(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263209
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619
(1S)-2,2,2-trifluoro-1-(4-methylphenyl)ethanamine
CID 56971822

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride?
The IUPAC name of (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride (CID 171242111) is (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride.
What is the SMILES notation for (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride?
The canonical SMILES for (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride is C[Si](C)(C)Oc1ccc([C@@H](N)C(F)(F)F)cc1.Cl.
What is the InChIKey of (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride?
The InChIKey is BTWCEBFCDFKEGO-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H16F3NOSi.ClH/c1-17(2,3)16-9-6-4-8(5-7-9)10(15)11(12,13)14;/h4-7,10H,15H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride?
(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride is sourced from PubChem (CID 171242111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).