5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine

C5Cl2F4N2 — CID 13026342

IUPAC5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine
SMILESFc1nc(F)c(Cl)c(C(F)(F)Cl)n1
InChIInChI=1S/C5Cl2F4N2/c6-1-2(5(7,10)11)12-4(9)13-3(1)8
InChIKeyRRDNGRUDPDRKEO-UHFFFAOYSA-N
MW234.97 g/mol
LogP2.70
Rot. Bonds1

About 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine

5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine (PubChem CID 13026342) has the molecular formula C5Cl2F4N2 and a molecular weight of 234.97 g/mol. Its IUPAC name is 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine.

Molecular Properties

Compound Name5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine
PubChem CID13026342
Molecular FormulaC5Cl2F4N2
Molecular Weight234.97 g/mol
Exact Mass233.94
IUPAC Name5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine
SMILESFc1nc(F)c(Cl)c(C(F)(F)Cl)n1
InChIInChI=1S/C5Cl2F4N2/c6-1-2(5(7,10)11)12-4(9)13-3(1)8
InChIKeyRRDNGRUDPDRKEO-UHFFFAOYSA-N
XLogP2.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.97
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
CID 3057449
5-chloro-2,4,6-trifluoropyrimidine;methane
CID 162065377
2,4-difluoro-6-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-5-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)pyrimidine
CID 12702314
4-chloro-2,6-difluoro-5-methylpyrimidine
CID 18981191
3,5-dichloro-2,6-difluoro-4-methylpyridine
CID 54345490
2-chloro-4,6-difluoro-1,3,5-triazine;hydrofluoride
CID 86738399
2,4,6-trifluoro-5-iodopyrimidine
CID 143789968
5-chloro-2,6-difluoropyridine-3,4-diamine
CID 22284051
1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
5-chloro-6-(dichloromethyl)-2-fluoropyrimidin-4-amine
CID 13026345
CID 114986666
CID 114986666
5-chloro-4,6-difluoro-1H-pyrimidin-2-one
CID 118548236

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine?
The IUPAC name of 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine (CID 13026342) is 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine.
What is the SMILES notation for 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine?
The canonical SMILES for 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine is Fc1nc(F)c(Cl)c(C(F)(F)Cl)n1.
What is the InChIKey of 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine?
The InChIKey is RRDNGRUDPDRKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl2F4N2/c6-1-2(5(7,10)11)12-4(9)13-3(1)8.
What are the key properties of 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine?
5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine has a molecular weight of 234.97 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine is sourced from PubChem (CID 13026342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).