(Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol

C10H9F5N2O3 — CID 135610881

IUPAC(Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol
SMILESCOc1cc(/C=C(\O)C(F)(F)C(F)(F)F)nc(OC)n1
InChIInChI=1S/C10H9F5N2O3/c1-19-7-4-5(16-8(17-7)20-2)3-6(18)9(11,12)10(13,14)15/h3-4,18H,1-2H3/b6-3-
InChIKeyVWONJHMBROXKIW-UTCJRWHESA-N
MW300.18 g/mol
LogP2.59
Rot. Bonds4

About (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol

(Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol (PubChem CID 135610881) has the molecular formula C10H9F5N2O3 and a molecular weight of 300.18 g/mol. Its IUPAC name is (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol
PubChem CID135610881
Molecular FormulaC10H9F5N2O3
Molecular Weight300.18 g/mol
Exact Mass300.05
IUPAC Name(Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol
SMILESCOc1cc(/C=C(\O)C(F)(F)C(F)(F)F)nc(OC)n1
InChIInChI=1S/C10H9F5N2O3/c1-19-7-4-5(16-8(17-7)20-2)3-6(18)9(11,12)10(13,14)15/h3-4,18H,1-2H3/b6-3-
InChIKeyVWONJHMBROXKIW-UTCJRWHESA-N
XLogP2.59
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol?
The IUPAC name of (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol (CID 135610881) is (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol.
What is the SMILES notation for (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol?
The canonical SMILES for (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol is COc1cc(/C=C(\O)C(F)(F)C(F)(F)F)nc(OC)n1.
What is the InChIKey of (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol?
The InChIKey is VWONJHMBROXKIW-UTCJRWHESA-N. The full InChI is InChI=1S/C10H9F5N2O3/c1-19-7-4-5(16-8(17-7)20-2)3-6(18)9(11,12)10(13,14)15/h3-4,18H,1-2H3/b6-3-.
What are the key properties of (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol?
(Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol has a molecular weight of 300.18 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,6-dimethoxypyrimidin-4-yl)-3,3,4,4,4-pentafluorobut-1-en-2-ol is sourced from PubChem (CID 135610881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).