2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine

C6HCl3F4N2O — CID 19743221

IUPAC2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine
SMILESFc1ncc(C(F)(F)F)c(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C6HCl3F4N2O/c7-6(8,9)16-3-2(5(11,12)13)1-14-4(10)15-3/h1H
InChIKeyGAMNMQWECZNSIO-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.34
Rot. Bonds1

About 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine

2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine (PubChem CID 19743221) has the molecular formula C6HCl3F4N2O and a molecular weight of 299.44 g/mol. Its IUPAC name is 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine
PubChem CID19743221
Molecular FormulaC6HCl3F4N2O
Molecular Weight299.44 g/mol
Exact Mass297.91
IUPAC Name2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine
SMILESFc1ncc(C(F)(F)F)c(OC(Cl)(Cl)Cl)n1
InChIInChI=1S/C6HCl3F4N2O/c7-6(8,9)16-3-2(5(11,12)13)1-14-4(10)15-3/h1H
InChIKeyGAMNMQWECZNSIO-UHFFFAOYSA-N
XLogP3.34
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-prop-1-en-2-yl-5-(trifluoromethyl)pyrimidine
CID 168893738
3-iodo-4-methoxy-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134666970
2-bromo-4-chloro-5-(trifluoromethyl)pyrimidine
CID 118991334
2-fluoro-4-(trifluoromethyl)pyrimidine-5-carbonyl chloride
CID 10846987
2-[2-chloro-5-(trifluoromethyl)pyrimidin-4-yl]oxycyclopentan-1-ol
CID 170640145
4-iodo-2-methyl-3-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 134661634
4-(azetidin-3-yloxy)-5-(trifluoromethyl)pyrimidin-2-amine
CID 175891014
4-iodo-5-(trifluoromethyl)pyrimidine-2-carbothialdehyde
CID 88921777
2-fluoro-4-methyl-5-(2-methylbutan-2-yl)pyrimidine
CID 146377754
2-(chloromethyl)-5-(trifluoromethyl)pyrimidin-4-amine
CID 123571784
4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine
CID 75132224
4-(chloromethyl)-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-sulfonyl chloride
CID 134672889

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine (CID 19743221) is 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine is Fc1ncc(C(F)(F)F)c(OC(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine?
The InChIKey is GAMNMQWECZNSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3F4N2O/c7-6(8,9)16-3-2(5(11,12)13)1-14-4(10)15-3/h1H.
What are the key properties of 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine?
2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine has a molecular weight of 299.44 g/mol, XLogP of 3.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trichloromethoxy)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19743221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).