2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol

C10H13FN2O — CID 177210094

IUPAC2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol
SMILESC=CC(CF)C(O)c1nccnc1C
InChIInChI=1S/C10H13FN2O/c1-3-8(6-11)10(14)9-7(2)12-4-5-13-9/h3-5,8,10,14H,1,6H2,2H3
InChIKeyUDYSQUBKCPHIOC-UHFFFAOYSA-N
MW196.22 g/mol
LogP1.59
Rot. Bonds4

About 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol

2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol (PubChem CID 177210094) has the molecular formula C10H13FN2O and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol.

Molecular Properties

Compound Name2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol
PubChem CID177210094
Molecular FormulaC10H13FN2O
Molecular Weight196.22 g/mol
Exact Mass196.10
IUPAC Name2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol
SMILESC=CC(CF)C(O)c1nccnc1C
InChIInChI=1S/C10H13FN2O/c1-3-8(6-11)10(14)9-7(2)12-4-5-13-9/h3-5,8,10,14H,1,6H2,2H3
InChIKeyUDYSQUBKCPHIOC-UHFFFAOYSA-N
XLogP1.59
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol?
The IUPAC name of 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol (CID 177210094) is 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol.
What is the SMILES notation for 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol?
The canonical SMILES for 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol is C=CC(CF)C(O)c1nccnc1C.
What is the InChIKey of 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol?
The InChIKey is UDYSQUBKCPHIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c1-3-8(6-11)10(14)9-7(2)12-4-5-13-9/h3-5,8,10,14H,1,6H2,2H3.
What are the key properties of 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol?
2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol has a molecular weight of 196.22 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-1-(3-methylpyrazin-2-yl)but-3-en-1-ol is sourced from PubChem (CID 177210094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).