(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine

C12H16F5NOSi — CID 171312443

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H16F5NOSi/c1-20(2,3)19-9-6-4-8(5-7-9)10(18)11(13,14)12(15,16)17/h4-7,10H,18H2,1-3H3/t10-/m1/s1
InChIKeyZWCDLPJGTQWCAW-SNVBAGLBSA-N
MW313.34 g/mol
LogP4.10
Rot. Bonds4

About (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine

(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine (PubChem CID 171312443) has the molecular formula C12H16F5NOSi and a molecular weight of 313.34 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
PubChem CID171312443
Molecular FormulaC12H16F5NOSi
Molecular Weight313.34 g/mol
Exact Mass313.09
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine
SMILESC[Si](C)(C)Oc1ccc([C@@H](N)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C12H16F5NOSi/c1-20(2,3)19-9-6-4-8(5-7-9)10(18)11(13,14)12(15,16)17/h4-7,10H,18H2,1-3H3/t10-/m1/s1
InChIKeyZWCDLPJGTQWCAW-SNVBAGLBSA-N
XLogP4.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2,2,2-trifluoro-1-(4-trimethylsilyloxyphenyl)ethanamine;hydrochloride
CID 171242111
(1S)-2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171311850
(S)-[4-(trifluoromethoxy)phenyl]-(4-trimethylsilyloxyphenyl)methanamine
CID 171242116
(1S)-2,2-difluoro-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 171248838
(1S)-2,2,3,3,3-pentafluoro-1-(4-phenoxyphenyl)propan-1-amine
CID 171311776
(1S)-1-(4-trimethylsilyloxyphenyl)ethanamine
CID 131081416
trimethyl-[4-[1,2,2-tris(4-trimethylsilyloxyphenyl)ethyl]phenoxy]silane
CID 139887552
(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine
CID 171207296
(1S)-2,2,3,3,3-pentafluoro-1-(4-methylsulfanylphenyl)propan-1-amine;hydrochloride
CID 171311910
(1S)-3,3-difluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine;hydrochloride
CID 171313104
2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine
CID 43248519
(1S)-1-(4-trimethylsilyloxyphenyl)butan-1-amine
CID 171226872

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine (CID 171312443) is (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine is C[Si](C)(C)Oc1ccc([C@@H](N)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine?
The InChIKey is ZWCDLPJGTQWCAW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16F5NOSi/c1-20(2,3)19-9-6-4-8(5-7-9)10(18)11(13,14)12(15,16)17/h4-7,10H,18H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine?
(1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine has a molecular weight of 313.34 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(4-trimethylsilyloxyphenyl)propan-1-amine is sourced from PubChem (CID 171312443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).