2,4,6-trichloro-5-fluoropyrimidine

C4Cl3FN2 — CID 13388993

IUPAC2,4,6-trichloro-5-fluoropyrimidine
SMILESFc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C4Cl3FN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKeyXXBZSPPWTVRISV-UHFFFAOYSA-N
MW201.41 g/mol
LogP2.58
Rot. Bonds

About 2,4,6-trichloro-5-fluoropyrimidine

2,4,6-trichloro-5-fluoropyrimidine (PubChem CID 13388993) has the molecular formula C4Cl3FN2 and a molecular weight of 201.41 g/mol. Its IUPAC name is 2,4,6-trichloro-5-fluoropyrimidine.

Molecular Properties

Compound Name2,4,6-trichloro-5-fluoropyrimidine
PubChem CID13388993
Molecular FormulaC4Cl3FN2
Molecular Weight201.41 g/mol
Exact Mass199.91
IUPAC Name2,4,6-trichloro-5-fluoropyrimidine
SMILESFc1c(Cl)nc(Cl)nc1Cl
InChIInChI=1S/C4Cl3FN2/c5-2-1(8)3(6)10-4(7)9-2
InChIKeyXXBZSPPWTVRISV-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,5,6-Tetrachloropyrimidine
CID 15690
2,4,6-Trichloro-5-methylpyrimidine
CID 232789
Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
4,6-Dichloro-5-fluoropyrimidine
CID 11286675
2,4,5,6-Tetrafluoropyrimidine
CID 136605
5-Bromo-4,6-dichloropyrimidin-2-amine
CID 618288
2,4,6-Trichloro-5-iodopyrimidine
CID 53415881
5-Bromo-2,4,6-trichloropyrimidine
CID 12369426
4,6-Dichloro-5-fluoropyrimidin-2-amine
CID 15221577
2,4-Dichloro-6-fluoropyrimidine
CID 597262
4-Amino-5-chloro-2,6-difluoropyrimidine
CID 22155671
4,5,6-Trichloropyrimidin-2-amine
CID 345630

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-5-fluoropyrimidine?
The IUPAC name of 2,4,6-trichloro-5-fluoropyrimidine (CID 13388993) is 2,4,6-trichloro-5-fluoropyrimidine.
What is the SMILES notation for 2,4,6-trichloro-5-fluoropyrimidine?
The canonical SMILES for 2,4,6-trichloro-5-fluoropyrimidine is Fc1c(Cl)nc(Cl)nc1Cl.
What is the InChIKey of 2,4,6-trichloro-5-fluoropyrimidine?
The InChIKey is XXBZSPPWTVRISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4Cl3FN2/c5-2-1(8)3(6)10-4(7)9-2.
What are the key properties of 2,4,6-trichloro-5-fluoropyrimidine?
2,4,6-trichloro-5-fluoropyrimidine has a molecular weight of 201.41 g/mol, XLogP of 2.58, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-5-fluoropyrimidine is sourced from PubChem (CID 13388993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).