2-butylpyrazine;fluoro dihydrogen phosphate

C8H14FN2O4P — CID 174913013

IUPAC2-butylpyrazine;fluoro dihydrogen phosphate
SMILESCCCCc1cnccn1.O=P(O)(O)OF
InChIInChI=1S/C8H12N2.FH2O4P/c1-2-3-4-8-7-9-5-6-10-8;1-5-6(2,3)4/h5-7H,2-4H2,1H3;(H2,2,3,4)
InChIKeyVTEGOMVPXCIMGR-UHFFFAOYSA-N
MW252.18 g/mol
LogP1.80
Rot. Bonds4

About 2-butylpyrazine;fluoro dihydrogen phosphate

2-butylpyrazine;fluoro dihydrogen phosphate (PubChem CID 174913013) has the molecular formula C8H14FN2O4P and a molecular weight of 252.18 g/mol. Its IUPAC name is 2-butylpyrazine;fluoro dihydrogen phosphate.

Molecular Properties

Compound Name2-butylpyrazine;fluoro dihydrogen phosphate
PubChem CID174913013
Molecular FormulaC8H14FN2O4P
Molecular Weight252.18 g/mol
Exact Mass252.07
IUPAC Name2-butylpyrazine;fluoro dihydrogen phosphate
SMILESCCCCc1cnccn1.O=P(O)(O)OF
InChIInChI=1S/C8H12N2.FH2O4P/c1-2-3-4-8-7-9-5-6-10-8;1-5-6(2,3)4/h5-7H,2-4H2,1H3;(H2,2,3,4)
InChIKeyVTEGOMVPXCIMGR-UHFFFAOYSA-N
XLogP1.80
TPSA92.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-pyrazin-2-ylhexan-3-one
CID 64504751
13-pyrazin-2-yltridecan-1-ol
CID 11437411
6-pyrazin-2-ylhexan-1-ol
CID 171785041
2-(butoxymethyl)pyrazine
CID 54527818
5-pyrazin-2-ylpentanoic acid
CID 22934386
1-(2,3-dibutyl-4-methoxyphenyl)-4-pyrazin-2-ylbutan-1-ol
CID 142686363
2-(4-chlorobutyl)pyrazine
CID 54142215
8-pyrazin-2-yloctanoic acid
CID 67107978
(2-ethoxy-1-hydroxy-2-oxoethyl)-dimethyl-(2-pyrazin-2-ylethyl)azanium bromide
CID 110193408
2-ethylpyrazine;2-propan-2-ylpyrazine;2-propylpyrazine
CID 160532833
2-(2-methylsulfonylethyl)pyrazine
CID 102287651
N-(2-methoxyethyl)-2-pyrazin-2-ylethanamine
CID 63969445

Frequently Asked Questions

What is the IUPAC name of 2-butylpyrazine;fluoro dihydrogen phosphate?
The IUPAC name of 2-butylpyrazine;fluoro dihydrogen phosphate (CID 174913013) is 2-butylpyrazine;fluoro dihydrogen phosphate.
What is the SMILES notation for 2-butylpyrazine;fluoro dihydrogen phosphate?
The canonical SMILES for 2-butylpyrazine;fluoro dihydrogen phosphate is CCCCc1cnccn1.O=P(O)(O)OF.
What is the InChIKey of 2-butylpyrazine;fluoro dihydrogen phosphate?
The InChIKey is VTEGOMVPXCIMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.FH2O4P/c1-2-3-4-8-7-9-5-6-10-8;1-5-6(2,3)4/h5-7H,2-4H2,1H3;(H2,2,3,4).
What are the key properties of 2-butylpyrazine;fluoro dihydrogen phosphate?
2-butylpyrazine;fluoro dihydrogen phosphate has a molecular weight of 252.18 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylpyrazine;fluoro dihydrogen phosphate is sourced from PubChem (CID 174913013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).