4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine

C5HCl2F3N2 — CID 58000548

IUPAC4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C(F)F)nc1Cl
InChIInChI=1S/C5HCl2F3N2/c6-2-1(8)3(7)12-5(11-2)4(9)10/h4H
InChIKeyWBRVKJOICAONDC-UHFFFAOYSA-N
MW216.98 g/mol
LogP2.86
Rot. Bonds1

About 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine

4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine (PubChem CID 58000548) has the molecular formula C5HCl2F3N2 and a molecular weight of 216.98 g/mol. Its IUPAC name is 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine
PubChem CID58000548
Molecular FormulaC5HCl2F3N2
Molecular Weight216.98 g/mol
Exact Mass215.95
IUPAC Name4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine
SMILESFc1c(Cl)nc(C(F)F)nc1Cl
InChIInChI=1S/C5HCl2F3N2/c6-2-1(8)3(7)12-5(11-2)4(9)10/h4H
InChIKeyWBRVKJOICAONDC-UHFFFAOYSA-N
XLogP2.86
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.98
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5,6-Trichloro-2-methylpyrimidine
CID 231054
Pyrimidine, 5-chloro-2,4,6-trifluoro-
CID 69679
6-Chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 245271
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
4,6-Dichloro-2-(heptafluoropropyl)pyrimidine
CID 33727272
4,5,6-Trichloro-2-propan-2-ylpyrimidine
CID 249014
Pyrimidine, 4-chloro-2,6-difluoro-
CID 21259054
2,4,6-Trichloro-5-fluoropyrimidine
CID 13388993
4,6-Dichloro-5-fluoro-2-methylpyrimidine
CID 13731033

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine?
The IUPAC name of 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine (CID 58000548) is 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine?
The canonical SMILES for 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine is Fc1c(Cl)nc(C(F)F)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine?
The InChIKey is WBRVKJOICAONDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl2F3N2/c6-2-1(8)3(7)12-5(11-2)4(9)10/h4H.
What are the key properties of 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine?
4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine has a molecular weight of 216.98 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(difluoromethyl)-5-fluoropyrimidine is sourced from PubChem (CID 58000548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).