4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine

C8H6Cl2F2N2 — CID 140971488

IUPAC4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine
SMILESFC(F)c1ncc(C2(Cl)CC2)c(Cl)n1
InChIInChI=1S/C8H6Cl2F2N2/c9-5-4(8(10)1-2-8)3-13-7(14-5)6(11)12/h3,6H,1-2H2
InChIKeyMNGSUMJIGDSYMF-UHFFFAOYSA-N
MW239.05 g/mol
LogP3.30
Rot. Bonds2

About 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine

4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine (PubChem CID 140971488) has the molecular formula C8H6Cl2F2N2 and a molecular weight of 239.05 g/mol. Its IUPAC name is 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine
PubChem CID140971488
Molecular FormulaC8H6Cl2F2N2
Molecular Weight239.05 g/mol
Exact Mass237.99
IUPAC Name4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine
SMILESFC(F)c1ncc(C2(Cl)CC2)c(Cl)n1
InChIInChI=1S/C8H6Cl2F2N2/c9-5-4(8(10)1-2-8)3-13-7(14-5)6(11)12/h3,6H,1-2H2
InChIKeyMNGSUMJIGDSYMF-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.05
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine (CID 140971488) is 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine is FC(F)c1ncc(C2(Cl)CC2)c(Cl)n1.
What is the InChIKey of 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine?
The InChIKey is MNGSUMJIGDSYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2N2/c9-5-4(8(10)1-2-8)3-13-7(14-5)6(11)12/h3,6H,1-2H2.
What are the key properties of 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine?
4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine has a molecular weight of 239.05 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-chlorocyclopropyl)-2-(difluoromethyl)pyrimidine is sourced from PubChem (CID 140971488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).