4,5,6-trichloro-2-(fluoromethyl)pyrimidine

C5H2Cl3FN2 — CID 25019464

IUPAC4,5,6-trichloro-2-(fluoromethyl)pyrimidine
SMILESFCc1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C5H2Cl3FN2/c6-3-4(7)10-2(1-9)11-5(3)8/h1H2
InChIKeyKDPGOIQWROROOJ-UHFFFAOYSA-N
MW215.44 g/mol
LogP2.91
Rot. Bonds1

About 4,5,6-trichloro-2-(fluoromethyl)pyrimidine

4,5,6-trichloro-2-(fluoromethyl)pyrimidine (PubChem CID 25019464) has the molecular formula C5H2Cl3FN2 and a molecular weight of 215.44 g/mol. Its IUPAC name is 4,5,6-trichloro-2-(fluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5,6-trichloro-2-(fluoromethyl)pyrimidine
PubChem CID25019464
Molecular FormulaC5H2Cl3FN2
Molecular Weight215.44 g/mol
Exact Mass213.93
IUPAC Name4,5,6-trichloro-2-(fluoromethyl)pyrimidine
SMILESFCc1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C5H2Cl3FN2/c6-3-4(7)10-2(1-9)11-5(3)8/h1H2
InChIKeyKDPGOIQWROROOJ-UHFFFAOYSA-N
XLogP2.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 15690
CID 15690
CID 231054
CID 231054
CID 15713197
CID 15713197
CID 237013
CID 237013
CID 15221577
CID 15221577
CID 345630
CID 345630
CID 10703605
CID 10703605
CID 249014
CID 249014
CID 13388993
CID 13388993
CID 13731033
CID 13731033
CID 55264154
CID 55264154
CID 55283624
CID 55283624

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trichloro-2-(fluoromethyl)pyrimidine?
The IUPAC name of 4,5,6-trichloro-2-(fluoromethyl)pyrimidine (CID 25019464) is 4,5,6-trichloro-2-(fluoromethyl)pyrimidine.
What is the SMILES notation for 4,5,6-trichloro-2-(fluoromethyl)pyrimidine?
The canonical SMILES for 4,5,6-trichloro-2-(fluoromethyl)pyrimidine is FCc1nc(Cl)c(Cl)c(Cl)n1.
What is the InChIKey of 4,5,6-trichloro-2-(fluoromethyl)pyrimidine?
The InChIKey is KDPGOIQWROROOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl3FN2/c6-3-4(7)10-2(1-9)11-5(3)8/h1H2.
What are the key properties of 4,5,6-trichloro-2-(fluoromethyl)pyrimidine?
4,5,6-trichloro-2-(fluoromethyl)pyrimidine has a molecular weight of 215.44 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trichloro-2-(fluoromethyl)pyrimidine is sourced from PubChem (CID 25019464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).