2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine

C12H15FN2O — CID 161405503

IUPAC2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine
SMILESCC(C)(C)c1cnc(OCC#CCF)cn1
InChIInChI=1S/C12H15FN2O/c1-12(2,3)10-8-15-11(9-14-10)16-7-5-4-6-13/h8-9H,6-7H2,1-3H3
InChIKeyMHXKGEYDZLUZSQ-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.13
Rot. Bonds2

About 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine

2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine (PubChem CID 161405503) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine.

Molecular Properties

Compound Name2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine
PubChem CID161405503
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine
SMILESCC(C)(C)c1cnc(OCC#CCF)cn1
InChIInChI=1S/C12H15FN2O/c1-12(2,3)10-8-15-11(9-14-10)16-7-5-4-6-13/h8-9H,6-7H2,1-3H3
InChIKeyMHXKGEYDZLUZSQ-UHFFFAOYSA-N
XLogP2.13
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-5-(2-methoxyethoxy)pyrazine
CID 135302140
2-[(2S)-butan-2-yl]oxy-5-tert-butylpyrazine
CID 159165036
2-tert-butyl-5-[(3R)-pent-1-yn-3-yl]oxypyrazine
CID 162235081
2-tert-butyl-5-[(3R)-hex-4-yn-3-yl]oxypyrazine
CID 161405508
2-but-2-ynoxy-5-methylpyrazine;ethane
CID 145255278
2-(2-methylprop-2-enoxy)-5-(trifluoromethyl)pyrazine
CID 176926467
2-propan-2-yl-5-prop-2-ynoxypyrazine
CID 58448848
4-(4,4-dimethylpent-2-ynoxy)-6-fluoropyrimidine
CID 66675265
2-(2,2-difluoropropoxy)-5-propan-2-ylpyrazine
CID 176740567
5-tert-butyl-N,N-diethylpyrazin-2-amine
CID 67967134
2-tert-butyl-5-ethylsulfonylpyridine
CID 146657361
2,5-ditert-butylpyridine;propane
CID 158805083

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine?
The IUPAC name of 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine (CID 161405503) is 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine.
What is the SMILES notation for 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine?
The canonical SMILES for 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine is CC(C)(C)c1cnc(OCC#CCF)cn1.
What is the InChIKey of 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine?
The InChIKey is MHXKGEYDZLUZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-12(2,3)10-8-15-11(9-14-10)16-7-5-4-6-13/h8-9H,6-7H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine?
2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine has a molecular weight of 222.26 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-fluorobut-2-ynoxy)pyrazine is sourced from PubChem (CID 161405503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).