4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine

C8H8ClF3N2 — CID 131115505

IUPAC4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCc1ncc(CC(F)(F)F)c(Cl)n1
InChIInChI=1S/C8H8ClF3N2/c1-2-6-13-4-5(7(9)14-6)3-8(10,11)12/h4H,2-3H2,1H3
InChIKeyGVPZZJQORAGXDC-UHFFFAOYSA-N
MW224.61 g/mol
LogP2.80
Rot. Bonds2

About 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine

4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine (PubChem CID 131115505) has the molecular formula C8H8ClF3N2 and a molecular weight of 224.61 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine
PubChem CID131115505
Molecular FormulaC8H8ClF3N2
Molecular Weight224.61 g/mol
Exact Mass224.03
IUPAC Name4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine
SMILESCCc1ncc(CC(F)(F)F)c(Cl)n1
InChIInChI=1S/C8H8ClF3N2/c1-2-6-13-4-5(7(9)14-6)3-8(10,11)12/h4H,2-3H2,1H3
InChIKeyGVPZZJQORAGXDC-UHFFFAOYSA-N
XLogP2.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.61
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-ethyl-5-(trifluoromethyl)pyrimidine
CID 75132224
[2-ethyl-4-(trifluoromethyl)pyrimidin-5-yl]methanamine
CID 82506813
4-chloro-5-ethylpyrimidin-2-amine
CID 24903854
5-(chloromethyl)-2-ethylpyrimidin-4-amine
CID 118060527
N-[[4-ethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 114206730
[4-(difluoromethyl)-2-ethylpyrimidin-5-yl]methanol
CID 130482994
2,4-diethyl-5-methylpyrimidine
CID 59174285
[5-methyl-2-(2,2,2-trifluoroethyl)pyrimidin-4-yl]methanol
CID 126975264
2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 172552203
2,6-dichloro-3-ethyl-5-(trifluoromethyl)pyridine
CID 139336058
2-ethyl-3-(2,2,2-trifluoroethyl)pyridine
CID 177328256
5-(aminomethyl)-2-ethylpyrimidin-4-amine;hydrochloride
CID 133062849

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine (CID 131115505) is 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine is CCc1ncc(CC(F)(F)F)c(Cl)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine?
The InChIKey is GVPZZJQORAGXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2/c1-2-6-13-4-5(7(9)14-6)3-8(10,11)12/h4H,2-3H2,1H3.
What are the key properties of 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine?
4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine has a molecular weight of 224.61 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-(2,2,2-trifluoroethyl)pyrimidine is sourced from PubChem (CID 131115505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).