(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol

C12H18F2N2O2 — CID 57296319

IUPAC(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol
SMILESCC[C@H](F)Cc1cncc(C[C@H](F)[C@H](O)CO)n1
InChIInChI=1S/C12H18F2N2O2/c1-2-8(13)3-9-5-15-6-10(16-9)4-11(14)12(18)7-17/h5-6,8,11-12,17-18H,2-4,7H2,1H3/t8-,11-,12+/m0/s1
InChIKeyQFLLLCPMHXXRPR-KPXOXKRLSA-N
MW260.28 g/mol
LogP1.00
Rot. Bonds7

About (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol

(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol (PubChem CID 57296319) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol
PubChem CID57296319
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol
SMILESCC[C@H](F)Cc1cncc(C[C@H](F)[C@H](O)CO)n1
InChIInChI=1S/C12H18F2N2O2/c1-2-8(13)3-9-5-15-6-10(16-9)4-11(14)12(18)7-17/h5-6,8,11-12,17-18H,2-4,7H2,1H3/t8-,11-,12+/m0/s1
InChIKeyQFLLLCPMHXXRPR-KPXOXKRLSA-N
XLogP1.00
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol?
The IUPAC name of (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol (CID 57296319) is (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol.
What is the SMILES notation for (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol?
The canonical SMILES for (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol is CC[C@H](F)Cc1cncc(C[C@H](F)[C@H](O)CO)n1.
What is the InChIKey of (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol?
The InChIKey is QFLLLCPMHXXRPR-KPXOXKRLSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-2-8(13)3-9-5-15-6-10(16-9)4-11(14)12(18)7-17/h5-6,8,11-12,17-18H,2-4,7H2,1H3/t8-,11-,12+/m0/s1.
What are the key properties of (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol?
(2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol has a molecular weight of 260.28 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-4-[6-[(2S)-2-fluorobutyl]pyrazin-2-yl]butane-1,2-diol is sourced from PubChem (CID 57296319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).