4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine

C5H2Cl2F2N2 — CID 58000547

IUPAC4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine
SMILESFCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C5H2Cl2F2N2/c6-4-3(9)5(7)11-2(1-8)10-4/h1H2
InChIKeyKRKIXVOWSAKQDO-UHFFFAOYSA-N
MW198.99 g/mol
LogP2.39
Rot. Bonds1

About 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine

4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine (PubChem CID 58000547) has the molecular formula C5H2Cl2F2N2 and a molecular weight of 198.99 g/mol. Its IUPAC name is 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine
PubChem CID58000547
Molecular FormulaC5H2Cl2F2N2
Molecular Weight198.99 g/mol
Exact Mass197.96
IUPAC Name4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine
SMILESFCc1nc(Cl)c(F)c(Cl)n1
InChIInChI=1S/C5H2Cl2F2N2/c6-4-3(9)5(7)11-2(1-8)10-4/h1H2
InChIKeyKRKIXVOWSAKQDO-UHFFFAOYSA-N
XLogP2.39
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.99
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Trichloro-5-methylpyrimidine
CID 232789
4,5,6-Trichloro-2-methylpyrimidine
CID 231054
Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
4,6-Dichloro-5-fluoropyrimidine
CID 11286675
4,6-Dichloro-2-trifluoromethylpyrimidine
CID 15713197
4,6-Dichloro-2,5-dimethylpyrimidine
CID 237013
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
4,6-Dichloro-2-(heptafluoropropyl)pyrimidine
CID 33727272
4,5,6-Trichloropyrimidine-2-carbonitrile
CID 10703605
4,5,6-Trichloro-2-propan-2-ylpyrimidine
CID 249014

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine (CID 58000547) is 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine is FCc1nc(Cl)c(F)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine?
The InChIKey is KRKIXVOWSAKQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2Cl2F2N2/c6-4-3(9)5(7)11-2(1-8)10-4/h1H2.
What are the key properties of 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine?
4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine has a molecular weight of 198.99 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-fluoro-2-(fluoromethyl)pyrimidine is sourced from PubChem (CID 58000547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).