2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine

C7H7ClF2N2 — CID 155978274

IUPAC2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine
SMILESCC(F)(F)c1ccnc(CCl)n1
InChIInChI=1S/C7H7ClF2N2/c1-7(9,10)5-2-3-11-6(4-8)12-5/h2-3H,4H2,1H3
InChIKeySKCZHCNRXAPIBJ-UHFFFAOYSA-N
MW192.60 g/mol
LogP2.33
Rot. Bonds2

About 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine

2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine (PubChem CID 155978274) has the molecular formula C7H7ClF2N2 and a molecular weight of 192.60 g/mol. Its IUPAC name is 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine
PubChem CID155978274
Molecular FormulaC7H7ClF2N2
Molecular Weight192.60 g/mol
Exact Mass192.03
IUPAC Name2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine
SMILESCC(F)(F)c1ccnc(CCl)n1
InChIInChI=1S/C7H7ClF2N2/c1-7(9,10)5-2-3-11-6(4-8)12-5/h2-3H,4H2,1H3
InChIKeySKCZHCNRXAPIBJ-UHFFFAOYSA-N
XLogP2.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.60
LogP ≤ 52.33
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 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine?
The IUPAC name of 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine (CID 155978274) is 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine is CC(F)(F)c1ccnc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine?
The InChIKey is SKCZHCNRXAPIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2/c1-7(9,10)5-2-3-11-6(4-8)12-5/h2-3H,4H2,1H3.
What are the key properties of 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine?
2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine has a molecular weight of 192.60 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-(1,1-difluoroethyl)pyrimidine is sourced from PubChem (CID 155978274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).