2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

C10H10Cl2F3N3 — CID 79632733

IUPAC2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCCN(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C10H10Cl2F3N3/c11-7-4-16-9(12)17-8(7)18-3-1-2-6(5-18)10(13,14)15/h4,6H,1-3,5H2
InChIKeyLWOOBVATHCCBIH-UHFFFAOYSA-N
MW300.11 g/mol
LogP3.56
Rot. Bonds1

About 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 79632733) has the molecular formula C10H10Cl2F3N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID79632733
Molecular FormulaC10H10Cl2F3N3
Molecular Weight300.11 g/mol
Exact Mass299.02
IUPAC Name2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCCN(c2nc(Cl)ncc2Cl)C1
InChIInChI=1S/C10H10Cl2F3N3/c11-7-4-16-9(12)17-8(7)18-3-1-2-6(5-18)10(13,14)15/h4,6H,1-3,5H2
InChIKeyLWOOBVATHCCBIH-UHFFFAOYSA-N
XLogP3.56
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 79632733) is 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is FC(F)(F)C1CCCN(c2nc(Cl)ncc2Cl)C1.
What is the InChIKey of 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is LWOOBVATHCCBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3N3/c11-7-4-16-9(12)17-8(7)18-3-1-2-6(5-18)10(13,14)15/h4,6H,1-3,5H2.
What are the key properties of 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 300.11 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 79632733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).