(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol

C10H12F3NOS — CID 171207279

IUPAC(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
SMILESN[C@H](CCO)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)16-8-3-1-7(2-4-8)9(14)5-6-15/h1-4,9,15H,5-6,14H2/t9-/m1/s1
InChIKeyZHEDLBLBEPLMKE-SECBINFHSA-N
MW251.27 g/mol
LogP2.68
Rot. Bonds4

About (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol

(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol (PubChem CID 171207279) has the molecular formula C10H12F3NOS and a molecular weight of 251.27 g/mol. Its IUPAC name is (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
PubChem CID171207279
Molecular FormulaC10H12F3NOS
Molecular Weight251.27 g/mol
Exact Mass251.06
IUPAC Name(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
SMILESN[C@H](CCO)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C10H12F3NOS/c11-10(12,13)16-8-3-1-7(2-4-8)9(14)5-6-15/h1-4,9,15H,5-6,14H2/t9-/m1/s1
InChIKeyZHEDLBLBEPLMKE-SECBINFHSA-N
XLogP2.68
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-4,4,4-trifluoro-1-[4-(trifluoromethylsulfanyl)phenyl]butan-1-amine
CID 171207253
(1R)-4-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]pentan-1-amine
CID 171207274
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171226808
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-1-amine
CID 171226819
(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171226802
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]propan-1-amine
CID 171226809
(1R)-1-[4-(trifluoromethylsulfanyl)phenyl]hexan-1-amine;hydrochloride
CID 171207247
(1S)-3-methyl-1-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-1-amine
CID 171226844
(1S)-1-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-1-amine
CID 171226815
1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diol
CID 73129063
3-amino-3-[4-[4-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170875067
(3S)-3-amino-2,2-dimethyl-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol;hydrochloride
CID 171248825

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The IUPAC name of (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol (CID 171207279) is (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol is N[C@H](CCO)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
The InChIKey is ZHEDLBLBEPLMKE-SECBINFHSA-N. The full InChI is InChI=1S/C10H12F3NOS/c11-10(12,13)16-8-3-1-7(2-4-8)9(14)5-6-15/h1-4,9,15H,5-6,14H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol?
(3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol has a molecular weight of 251.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol is sourced from PubChem (CID 171207279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).