(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol

C8H12FNOS — CID 67565866

IUPAC(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
SMILESCc1csc([C@H](O)[C@H](N)CF)c1
InChIInChI=1S/C8H12FNOS/c1-5-2-7(12-4-5)8(11)6(10)3-9/h2,4,6,8,11H,3,10H2,1H3/t6-,8-/m1/s1
InChIKeyPIAALPBLEZGIRS-HTRCEHHLSA-N
MW189.25 g/mol
LogP1.39
Rot. Bonds3

About (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol

(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol (PubChem CID 67565866) has the molecular formula C8H12FNOS and a molecular weight of 189.25 g/mol. Its IUPAC name is (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
PubChem CID67565866
Molecular FormulaC8H12FNOS
Molecular Weight189.25 g/mol
Exact Mass189.06
IUPAC Name(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol
SMILESCc1csc([C@H](O)[C@H](N)CF)c1
InChIInChI=1S/C8H12FNOS/c1-5-2-7(12-4-5)8(11)6(10)3-9/h2,4,6,8,11H,3,10H2,1H3/t6-,8-/m1/s1
InChIKeyPIAALPBLEZGIRS-HTRCEHHLSA-N
XLogP1.39
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol (CID 67565866) is (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol is Cc1csc([C@H](O)[C@H](N)CF)c1.
What is the InChIKey of (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol?
The InChIKey is PIAALPBLEZGIRS-HTRCEHHLSA-N. The full InChI is InChI=1S/C8H12FNOS/c1-5-2-7(12-4-5)8(11)6(10)3-9/h2,4,6,8,11H,3,10H2,1H3/t6-,8-/m1/s1.
What are the key properties of (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol?
(1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol has a molecular weight of 189.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-3-fluoro-1-(4-methylthiophen-2-yl)propan-1-ol is sourced from PubChem (CID 67565866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).