4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine

C7H5Cl2F3N2 — CID 130552298

IUPAC4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)cc(CCl)n1
InChIInChI=1S/C7H5Cl2F3N2/c8-3-4-1-5(9)14-6(13-4)2-7(10,11)12/h1H,2-3H2
InChIKeyQRTBUDDFRBZGJC-UHFFFAOYSA-N
MW245.03 g/mol
LogP2.97
Rot. Bonds2

About 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine

4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 130552298) has the molecular formula C7H5Cl2F3N2 and a molecular weight of 245.03 g/mol. Its IUPAC name is 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID130552298
Molecular FormulaC7H5Cl2F3N2
Molecular Weight245.03 g/mol
Exact Mass243.98
IUPAC Name4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine
SMILESFC(F)(F)Cc1nc(Cl)cc(CCl)n1
InChIInChI=1S/C7H5Cl2F3N2/c8-3-4-1-5(9)14-6(13-4)2-7(10,11)12/h1H,2-3H2
InChIKeyQRTBUDDFRBZGJC-UHFFFAOYSA-N
XLogP2.97
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.03
LogP ≤ 52.97
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

4-chloro-6-propyl-2-(2,2,2-trifluoroethyl)pyrimidine
CID 61392924
4-chloro-6-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrimidine
CID 61392937
4-chloro-2-(2,2-dimethylpropyl)-6-ethylpyrimidine
CID 63891277
4-chloro-6-(chloromethyl)-2-(2-methylsulfanylpropan-2-yl)pyrimidine
CID 130692064
4-chloro-2,6-diethylpyrimidine
CID 43557605
4-chloro-2-(chloromethyl)-6-(2-methylpropyl)pyrimidine
CID 79421610
(4-chloro-6-ethylpyrimidin-2-yl)methanamine
CID 55262955
4,5,6-trifluoro-2-(2,2,2-trifluoroethyl)pyrimidine
CID 163418712
4-(chloromethyl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 130115566
2-(tert-butylsulfanylmethyl)-4-chloro-6-ethylpyrimidine
CID 65133411
4,6-dichloro-5-(3-methylphenyl)-2-(2,2,2-trifluoroethyl)pyrimidine
CID 79416729
4-tert-butyl-2,6-bis(chloromethyl)pyridine
CID 176736672

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine (CID 130552298) is 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine is FC(F)(F)Cc1nc(Cl)cc(CCl)n1.
What is the InChIKey of 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is QRTBUDDFRBZGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F3N2/c8-3-4-1-5(9)14-6(13-4)2-7(10,11)12/h1H,2-3H2.
What are the key properties of 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine?
4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 245.03 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(chloromethyl)-2-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 130552298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).