2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride

C7HCl2F5N2O — CID 10756259

IUPAC2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride
SMILESO=C(Cl)c1cnc(Cl)nc1C(F)(F)C(F)(F)F
InChIInChI=1S/C7HCl2F5N2O/c8-4(17)2-1-15-5(9)16-3(2)6(10,11)7(12,13)14/h1H
InChIKeyNEBHSUOSRXLJSP-UHFFFAOYSA-N
MW294.99 g/mol
LogP3.16
Rot. Bonds2

About 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride

2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride (PubChem CID 10756259) has the molecular formula C7HCl2F5N2O and a molecular weight of 294.99 g/mol. Its IUPAC name is 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride.

Molecular Properties

Compound Name2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride
PubChem CID10756259
Molecular FormulaC7HCl2F5N2O
Molecular Weight294.99 g/mol
Exact Mass293.94
IUPAC Name2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride
SMILESO=C(Cl)c1cnc(Cl)nc1C(F)(F)C(F)(F)F
InChIInChI=1S/C7HCl2F5N2O/c8-4(17)2-1-15-5(9)16-3(2)6(10,11)7(12,13)14/h1H
InChIKeyNEBHSUOSRXLJSP-UHFFFAOYSA-N
XLogP3.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.99
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride?
The IUPAC name of 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride (CID 10756259) is 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride.
What is the SMILES notation for 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride?
The canonical SMILES for 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride is O=C(Cl)c1cnc(Cl)nc1C(F)(F)C(F)(F)F.
What is the InChIKey of 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride?
The InChIKey is NEBHSUOSRXLJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2F5N2O/c8-4(17)2-1-15-5(9)16-3(2)6(10,11)7(12,13)14/h1H.
What are the key properties of 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride?
2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride has a molecular weight of 294.99 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1,2,2,2-pentafluoroethyl)pyrimidine-5-carbonyl chloride is sourced from PubChem (CID 10756259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).