4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine

C5Cl4F3N2O2P — CID 13086910

IUPAC4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine
SMILESO=P(Cl)(Cl)Oc1nc(Cl)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C5Cl4F3N2O2P/c6-1-2(5(10,11)12)13-4(14-3(1)7)16-17(8,9)15
InChIKeyVXFWZXUHRNTTDK-UHFFFAOYSA-N
MW349.85 g/mol
LogP4.77
Rot. Bonds2

About 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine

4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine (PubChem CID 13086910) has the molecular formula C5Cl4F3N2O2P and a molecular weight of 349.85 g/mol. Its IUPAC name is 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine
PubChem CID13086910
Molecular FormulaC5Cl4F3N2O2P
Molecular Weight349.85 g/mol
Exact Mass347.84
IUPAC Name4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine
SMILESO=P(Cl)(Cl)Oc1nc(Cl)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C5Cl4F3N2O2P/c6-1-2(5(10,11)12)13-4(14-3(1)7)16-17(8,9)15
InChIKeyVXFWZXUHRNTTDK-UHFFFAOYSA-N
XLogP4.77
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.85
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,4,6-trichloro-2-(trifluoromethyl)pyridine
CID 171506095
5-chloro-2,4-difluoro-6-(trifluoromethyl)pyrimidine
CID 3057449
[5-chloro-6-(trifluoromethyl)pyrazin-2-yl]methanamine
CID 83848889
2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907515
6-chloro-4-(difluoromethyl)-3-methoxy-2-(trifluoromethyl)pyridine
CID 130073838
3,5-dibromo-2-chloro-6-(trifluoromethyl)pyridine
CID 124849965
5-chloro-3-(trifluoromethyl)pyrazine-2-carbaldehyde
CID 178073385
5-chloro-2-[2,4-dibromo-3,5-bis(trifluoromethyl)anilino]-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 139907506
5-chloro-4-(difluoromethyl)-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134675155
4-chloro-3-methyl-6-propan-2-yloxy-2-(trifluoromethyl)quinoline
CID 63743211
2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 2736708
methyl 2-chloro-5-methyl-6-(trifluoromethyl)pyridine-3-carboxylate
CID 169249189

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine (CID 13086910) is 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine is O=P(Cl)(Cl)Oc1nc(Cl)c(Cl)c(C(F)(F)F)n1.
What is the InChIKey of 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine?
The InChIKey is VXFWZXUHRNTTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl4F3N2O2P/c6-1-2(5(10,11)12)13-4(14-3(1)7)16-17(8,9)15.
What are the key properties of 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine?
4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine has a molecular weight of 349.85 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-dichlorophosphoryloxy-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 13086910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).