5-chloro-2,4,6-trifluoropyrimidine;methane

C5H4ClF3N2 — CID 162065377

IUPAC5-chloro-2,4,6-trifluoropyrimidine;methane
SMILESC.Fc1nc(F)c(Cl)c(F)n1
InChIInChI=1S/C4ClF3N2.CH4/c5-1-2(6)9-4(8)10-3(1)7;/h;1H4
InChIKeyZAJSQDNGWJWNEM-UHFFFAOYSA-N
MW184.55 g/mol
LogP2.18
Rot. Bonds

About 5-chloro-2,4,6-trifluoropyrimidine;methane

5-chloro-2,4,6-trifluoropyrimidine;methane (PubChem CID 162065377) has the molecular formula C5H4ClF3N2 and a molecular weight of 184.55 g/mol. Its IUPAC name is 5-chloro-2,4,6-trifluoropyrimidine;methane.

Molecular Properties

Compound Name5-chloro-2,4,6-trifluoropyrimidine;methane
PubChem CID162065377
Molecular FormulaC5H4ClF3N2
Molecular Weight184.55 g/mol
Exact Mass184.00
IUPAC Name5-chloro-2,4,6-trifluoropyrimidine;methane
SMILESC.Fc1nc(F)c(Cl)c(F)n1
InChIInChI=1S/C4ClF3N2.CH4/c5-1-2(6)9-4(8)10-3(1)7;/h;1H4
InChIKeyZAJSQDNGWJWNEM-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.55
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
CID 3057449
5-chloro-4-[chloro(difluoro)methyl]-2,6-difluoropyrimidine
CID 13026342
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
CID 114986666
CID 114986666
5-chloro-4,6-difluoro-1H-pyrimidin-2-one
CID 118548236
3,5,6-trifluoro-1,2,4-triazine
CID 12533026
5-chloro-3,4,6-trifluoro-N,N-dimethylpyridin-2-amine
CID 23234820
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 133090102

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4,6-trifluoropyrimidine;methane?
The IUPAC name of 5-chloro-2,4,6-trifluoropyrimidine;methane (CID 162065377) is 5-chloro-2,4,6-trifluoropyrimidine;methane.
What is the SMILES notation for 5-chloro-2,4,6-trifluoropyrimidine;methane?
The canonical SMILES for 5-chloro-2,4,6-trifluoropyrimidine;methane is C.Fc1nc(F)c(Cl)c(F)n1.
What is the InChIKey of 5-chloro-2,4,6-trifluoropyrimidine;methane?
The InChIKey is ZAJSQDNGWJWNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4ClF3N2.CH4/c5-1-2(6)9-4(8)10-3(1)7;/h;1H4.
What are the key properties of 5-chloro-2,4,6-trifluoropyrimidine;methane?
5-chloro-2,4,6-trifluoropyrimidine;methane has a molecular weight of 184.55 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4,6-trifluoropyrimidine;methane is sourced from PubChem (CID 162065377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).