(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine

C11H17F2NOSi — CID 171248838

IUPAC(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
SMILESC[Si](C)(C)Oc1ccc([C@H](N)C(F)F)cc1
InChIInChI=1S/C11H17F2NOSi/c1-16(2,3)15-9-6-4-8(5-7-9)10(14)11(12)13/h4-7,10-11H,14H2,1-3H3/t10-/m0/s1
InChIKeyXWNAGSBOWZUDDO-JTQLQIEISA-N
MW245.35 g/mol
LogP3.17
Rot. Bonds4

About (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine

(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine (PubChem CID 171248838) has the molecular formula C11H17F2NOSi and a molecular weight of 245.35 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
PubChem CID171248838
Molecular FormulaC11H17F2NOSi
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
SMILESC[Si](C)(C)Oc1ccc([C@H](N)C(F)F)cc1
InChIInChI=1S/C11H17F2NOSi/c1-16(2,3)15-9-6-4-8(5-7-9)10(14)11(12)13/h4-7,10-11H,14H2,1-3H3/t10-/m0/s1
InChIKeyXWNAGSBOWZUDDO-JTQLQIEISA-N
XLogP3.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.17
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)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
(1R,2S)-1-amino-3-methyl-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263209
(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)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111
(1R,2S)-1-amino-1-(4-trimethylsilyloxyphenyl)butan-2-ol;hydrochloride
CID 171263199
ethyl (3S)-3-amino-2-fluoro-3-(4-trimethylsilyloxyphenyl)propanoate;hydrochloride
CID 171248851
(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
CID 171312443
(1R)-2,2-difluoro-1-(4-propan-2-yloxyphenyl)ethanamine
CID 28973362
(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine
CID 171207296
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine?
The IUPAC name of (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine (CID 171248838) is (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine.
What is the SMILES notation for (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine?
The canonical SMILES for (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine is C[Si](C)(C)Oc1ccc([C@H](N)C(F)F)cc1.
What is the InChIKey of (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine?
The InChIKey is XWNAGSBOWZUDDO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17F2NOSi/c1-16(2,3)15-9-6-4-8(5-7-9)10(14)11(12)13/h4-7,10-11H,14H2,1-3H3/t10-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine?
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine has a molecular weight of 245.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine is sourced from PubChem (CID 171248838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).