2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine

C9H11F3N2 — CID 70838994

IUPAC2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine
SMILESCC[C@H](C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2/c1-3-6(2)7-4-14-8(5-13-7)9(10,11)12/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyHHOWNVPCNMQWKL-LURJTMIESA-N
MW204.19 g/mol
LogP3.01
Rot. Bonds2

About 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine

2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine (PubChem CID 70838994) has the molecular formula C9H11F3N2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine
PubChem CID70838994
Molecular FormulaC9H11F3N2
Molecular Weight204.19 g/mol
Exact Mass204.09
IUPAC Name2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine
SMILESCC[C@H](C)c1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H11F3N2/c1-3-6(2)7-4-14-8(5-13-7)9(10,11)12/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyHHOWNVPCNMQWKL-LURJTMIESA-N
XLogP3.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine?
The IUPAC name of 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine (CID 70838994) is 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine is CC[C@H](C)c1cnc(C(F)(F)F)cn1.
What is the InChIKey of 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine?
The InChIKey is HHOWNVPCNMQWKL-LURJTMIESA-N. The full InChI is InChI=1S/C9H11F3N2/c1-3-6(2)7-4-14-8(5-13-7)9(10,11)12/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine?
2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine has a molecular weight of 204.19 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]-5-(trifluoromethyl)pyrazine is sourced from PubChem (CID 70838994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).