(1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol

C12H14F3NOS — CID 171263172

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESN[C@H](c1ccc(SC(F)(F)F)cc1)[C@@H](O)C1CC1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)18-9-5-3-7(4-6-9)10(16)11(17)8-1-2-8/h3-6,8,10-11,17H,1-2,16H2/t10-,11+/m1/s1
InChIKeyRCLVANVDOSSCTH-MNOVXSKESA-N
MW277.31 g/mol
LogP3.07
Rot. Bonds4

About (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol

(1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 171263172) has the molecular formula C12H14F3NOS and a molecular weight of 277.31 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID171263172
Molecular FormulaC12H14F3NOS
Molecular Weight277.31 g/mol
Exact Mass277.07
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESN[C@H](c1ccc(SC(F)(F)F)cc1)[C@@H](O)C1CC1
InChIInChI=1S/C12H14F3NOS/c13-12(14,15)18-9-5-3-7(4-6-9)10(16)11(17)8-1-2-8/h3-6,8,10-11,17H,1-2,16H2/t10-,11+/m1/s1
InChIKeyRCLVANVDOSSCTH-MNOVXSKESA-N
XLogP3.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]butan-2-ol
CID 171268854
(R)-piperidin-4-yl-[4-(trifluoromethylsulfanyl)phenyl]methanamine
CID 171314433
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzoic acid;hydrochloride
CID 171266506
(1S,2R)-1-amino-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-2-ol;hydrochloride
CID 171268865
(1S,2R)-2-amino-1-cyclopropyl-2-[4-fluoro-3-(trifluoromethyl)phenyl]ethanol
CID 171159870
1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diol
CID 73129063
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(1R,2S)-2-amino-2-(4-tert-butylphenyl)-1-cyclopentylethanol
CID 171162507

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol (CID 171263172) is (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol is N[C@H](c1ccc(SC(F)(F)F)cc1)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is RCLVANVDOSSCTH-MNOVXSKESA-N. The full InChI is InChI=1S/C12H14F3NOS/c13-12(14,15)18-9-5-3-7(4-6-9)10(16)11(17)8-1-2-8/h3-6,8,10-11,17H,1-2,16H2/t10-,11+/m1/s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
(1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 277.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 171263172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).