5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine

C8H6Cl2F2N2 — CID 174371335

IUPAC5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine
SMILESFC(F)(Cl)c1ncncc1C1(Cl)CC1
InChIInChI=1S/C8H6Cl2F2N2/c9-7(1-2-7)5-3-13-4-14-6(5)8(10,11)12/h3-4H,1-2H2
InChIKeyXBDHUUKNNZUIJB-UHFFFAOYSA-N
MW239.05 g/mol
LogP2.99
Rot. Bonds2

About 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine

5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine (PubChem CID 174371335) has the molecular formula C8H6Cl2F2N2 and a molecular weight of 239.05 g/mol. Its IUPAC name is 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine.

Molecular Properties

Compound Name5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine
PubChem CID174371335
Molecular FormulaC8H6Cl2F2N2
Molecular Weight239.05 g/mol
Exact Mass237.99
IUPAC Name5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine
SMILESFC(F)(Cl)c1ncncc1C1(Cl)CC1
InChIInChI=1S/C8H6Cl2F2N2/c9-7(1-2-7)5-3-13-4-14-6(5)8(10,11)12/h3-4H,1-2H2
InChIKeyXBDHUUKNNZUIJB-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
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 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine?
The IUPAC name of 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine (CID 174371335) is 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine.
What is the SMILES notation for 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine?
The canonical SMILES for 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine is FC(F)(Cl)c1ncncc1C1(Cl)CC1.
What is the InChIKey of 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine?
The InChIKey is XBDHUUKNNZUIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2N2/c9-7(1-2-7)5-3-13-4-14-6(5)8(10,11)12/h3-4H,1-2H2.
What are the key properties of 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine?
5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine has a molecular weight of 239.05 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-chlorocyclopropyl)-4-[chloro(difluoro)methyl]pyrimidine is sourced from PubChem (CID 174371335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).