(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine

C12H16F3NS — CID 66511757

IUPAC(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine
SMILESCC(C)(C)Sc1ccccc1[C@@H](N)C(F)(F)F
InChIInChI=1S/C12H16F3NS/c1-11(2,3)17-9-7-5-4-6-8(9)10(16)12(13,14)15/h4-7,10H,16H2,1-3H3/t10-/m1/s1
InChIKeyHSZFXGLNZQQCFU-SNVBAGLBSA-N
MW263.33 g/mol
LogP4.14
Rot. Bonds2

About (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine

(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine (PubChem CID 66511757) has the molecular formula C12H16F3NS and a molecular weight of 263.33 g/mol. Its IUPAC name is (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine
PubChem CID66511757
Molecular FormulaC12H16F3NS
Molecular Weight263.33 g/mol
Exact Mass263.10
IUPAC Name(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine
SMILESCC(C)(C)Sc1ccccc1[C@@H](N)C(F)(F)F
InChIInChI=1S/C12H16F3NS/c1-11(2,3)17-9-7-5-4-6-8(9)10(16)12(13,14)15/h4-7,10H,16H2,1-3H3/t10-/m1/s1
InChIKeyHSZFXGLNZQQCFU-SNVBAGLBSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(2-tert-butylsulfanylphenyl)-2,2-difluoroethanamine;hydrochloride
CID 171244579
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)propan-2-ol
CID 171271209
(1S)-1-(2-tert-butylsulfanylphenyl)propane-1,3-diamine
CID 171234486
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)-3-methylbutan-2-ol
CID 171271221
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
2-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273211
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980
(1R)-1-(2-tert-butylsulfanylphenyl)butane-1,4-diamine
CID 171214856
(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propan-1-ol;hydrochloride
CID 171234540
(1R)-1-[2-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171211776
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine (CID 66511757) is (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine is CC(C)(C)Sc1ccccc1[C@@H](N)C(F)(F)F.
What is the InChIKey of (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine?
The InChIKey is HSZFXGLNZQQCFU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16F3NS/c1-11(2,3)17-9-7-5-4-6-8(9)10(16)12(13,14)15/h4-7,10H,16H2,1-3H3/t10-/m1/s1.
What are the key properties of (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine?
(1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine has a molecular weight of 263.33 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2-tert-butylsulfanylphenyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 66511757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).