(1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol

C8H11F2NOS — CID 131115577

IUPAC(1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1csc(C(F)F)c1
InChIInChI=1S/C8H11F2NOS/c1-4(12)7(11)5-2-6(8(9)10)13-3-5/h2-4,7-8,12H,11H2,1H3/t4-,7-/m1/s1
InChIKeyJJRVIUYRYYRDEA-CLZZGJSISA-N
MW207.25 g/mol
LogP2.07
Rot. Bonds3

About (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol

(1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol (PubChem CID 131115577) has the molecular formula C8H11F2NOS and a molecular weight of 207.25 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol
PubChem CID131115577
Molecular FormulaC8H11F2NOS
Molecular Weight207.25 g/mol
Exact Mass207.05
IUPAC Name(1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1csc(C(F)F)c1
InChIInChI=1S/C8H11F2NOS/c1-4(12)7(11)5-2-6(8(9)10)13-3-5/h2-4,7-8,12H,11H2,1H3/t4-,7-/m1/s1
InChIKeyJJRVIUYRYYRDEA-CLZZGJSISA-N
XLogP2.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-(3-methylthiophen-2-yl)ethan-1-ol hydrochloride
CID 71755403
[2-Hydroxy-1-(thiophen-2-YL)ethyl]amine
CID 54000759
(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67565866
(1R,2R)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
CID 67900490
(2S,4S)-4-amino-1,1,1-trifluoro-4-(4-methylthiophen-2-yl)pentan-2-ol
CID 90308209
(2R)-2-amino-2-[5-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-yl]ethanol
CID 117628553
4-Amino-1,1,1-trifluoro-4-(4-methylthiophen-2-yl)pentan-2-ol
CID 123391992
2-Amino-1-[2-propyl-4-(trifluoromethyl)thiophen-3-yl]ethanol
CID 142603342
(2S)-1-amino-1-(2-fluorothiophen-3-yl)propan-2-ol
CID 142633970
(2S)-2-amino-2-[5-(difluoromethyl)thiophen-3-yl]ethanol
CID 55275402
2-Amino-2-[5-(difluoromethyl)thiophen-3-yl]ethanol
CID 55296160
2-(3-Methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346398

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol (CID 131115577) is (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol is C[C@@H](O)[C@@H](N)c1csc(C(F)F)c1.
What is the InChIKey of (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol?
The InChIKey is JJRVIUYRYYRDEA-CLZZGJSISA-N. The full InChI is InChI=1S/C8H11F2NOS/c1-4(12)7(11)5-2-6(8(9)10)13-3-5/h2-4,7-8,12H,11H2,1H3/t4-,7-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol?
(1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol has a molecular weight of 207.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-[5-(difluoromethyl)thiophen-3-yl]propan-2-ol is sourced from PubChem (CID 131115577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).