(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol

C9H11F3N2OS — CID 99832858

IUPAC(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol
SMILESC[C@@H](SC[C@H](O)C(F)(F)F)c1cnccn1
InChIInChI=1S/C9H11F3N2OS/c1-6(7-4-13-2-3-14-7)16-5-8(15)9(10,11)12/h2-4,6,8,15H,5H2,1H3/t6-,8+/m1/s1
InChIKeyNOSYSRDXKLTJEV-SVRRBLITSA-N
MW252.26 g/mol
LogP2.19
Rot. Bonds4

About (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol

(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol (PubChem CID 99832858) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol
PubChem CID99832858
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol
SMILESC[C@@H](SC[C@H](O)C(F)(F)F)c1cnccn1
InChIInChI=1S/C9H11F3N2OS/c1-6(7-4-13-2-3-14-7)16-5-8(15)9(10,11)12/h2-4,6,8,15H,5H2,1H3/t6-,8+/m1/s1
InChIKeyNOSYSRDXKLTJEV-SVRRBLITSA-N
XLogP2.19
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol with MolForge

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Related Compounds

1,1,1-trifluoro-3-(1-pyrazin-2-ylethylamino)propan-2-ol
CID 115712106
S-(4,4,4-trifluoro-3-pyrazin-2-ylbutyl) ethanethioate
CID 177219466
(2S)-1,1,1-trifluoro-3-pyrazin-2-ylpropan-2-ol
CID 44514042
N-ethyl-2-propan-2-ylsulfanyl-1-pyrazin-2-ylethanamine
CID 65132126
(1S)-2,2,2-trifluoro-1-pyrazin-2-ylethanamine
CID 55293918
2,3,3-trimethyl-1-pyrazin-2-ylbutan-1-ol
CID 130506995
3,3,3-trifluoro-N-propyl-1-pyrazin-2-yl-2-(trifluoromethyl)propan-1-amine
CID 103311965
4,4,4-trifluoro-N-propyl-1-pyrazin-2-ylbutan-1-amine
CID 64567832
2-butan-2-ylsulfanyl-N-methyl-1-pyrazin-2-ylethanamine
CID 65136135
2-methyl-2-methylsulfanyl-1-pyrazin-2-ylpropan-1-ol
CID 127002734
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
1-pyrazin-2-ylethylphosphane
CID 59073972

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol (CID 99832858) is (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol is C[C@@H](SC[C@H](O)C(F)(F)F)c1cnccn1.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol?
The InChIKey is NOSYSRDXKLTJEV-SVRRBLITSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c1-6(7-4-13-2-3-14-7)16-5-8(15)9(10,11)12/h2-4,6,8,15H,5H2,1H3/t6-,8+/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol?
(2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol has a molecular weight of 252.26 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[(1R)-1-pyrazin-2-ylethyl]sulfanylpropan-2-ol is sourced from PubChem (CID 99832858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).