2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

C10H11ClF3N3 — CID 64586834

IUPAC2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCCC2CCl)n1
InChIInChI=1S/C10H11ClF3N3/c11-6-7-2-1-5-17(7)9-15-4-3-8(16-9)10(12,13)14/h3-4,7H,1-2,5-6H2
InChIKeyZRKFAFYTTFLHJL-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.70
Rot. Bonds2

About 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine

2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (PubChem CID 64586834) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
PubChem CID64586834
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(N2CCCC2CCl)n1
InChIInChI=1S/C10H11ClF3N3/c11-6-7-2-1-5-17(7)9-15-4-3-8(16-9)10(12,13)14/h3-4,7H,1-2,5-6H2
InChIKeyZRKFAFYTTFLHJL-UHFFFAOYSA-N
XLogP2.70
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine (CID 64586834) is 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(N2CCCC2CCl)n1.
What is the InChIKey of 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
The InChIKey is ZRKFAFYTTFLHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c11-6-7-2-1-5-17(7)9-15-4-3-8(16-9)10(12,13)14/h3-4,7H,1-2,5-6H2.
What are the key properties of 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine?
2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine has a molecular weight of 265.67 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)pyrrolidin-1-yl]-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 64586834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).