4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine

C8H6ClF3N2 — CID 168894448

IUPAC4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine
SMILESC=CCc1c(Cl)ncnc1C(F)(F)F
InChIInChI=1S/C8H6ClF3N2/c1-2-3-5-6(8(10,11)12)13-4-14-7(5)9/h2,4H,1,3H2
InChIKeyQOMVLBZBPMWSIG-UHFFFAOYSA-N
MW222.60 g/mol
LogP2.88
Rot. Bonds2

About 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine

4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine (PubChem CID 168894448) has the molecular formula C8H6ClF3N2 and a molecular weight of 222.60 g/mol. Its IUPAC name is 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine
PubChem CID168894448
Molecular FormulaC8H6ClF3N2
Molecular Weight222.60 g/mol
Exact Mass222.02
IUPAC Name4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine
SMILESC=CCc1c(Cl)ncnc1C(F)(F)F
InChIInChI=1S/C8H6ClF3N2/c1-2-3-5-6(8(10,11)12)13-4-14-7(5)9/h2,4H,1,3H2
InChIKeyQOMVLBZBPMWSIG-UHFFFAOYSA-N
XLogP2.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.60
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-5-methyl-6-(trifluoromethyl)pyrimidine
CID 17856518
4-Chloro-5-ethyl-6-methylpyrimidine
CID 61252025
4-Chloro-5-isopropyl-6-methylpyrimidine
CID 62915901
4-Chloro-2,6-dimethyl-5-(prop-2-en-1-yl)pyrimidine
CID 12860322
4-Chloro-6-(difluoromethyl)-5-methylpyrimidine
CID 17856545
4-Chloro-6-methyl-5-prop-2-enyl-2-(trifluoromethyl)pyrimidine
CID 19009717
4-Chloro-6-(1-fluoroethyl)-5-methylpyrimidine
CID 83854099
4-Chloro-6-(1,1-difluoroethyl)-5-methylpyrimidine
CID 86673376
4-Chloro-6-(fluoromethyl)-5-methylpyrimidine
CID 86673378
4-Chloro-6,6-difluoro-5,6,7,8-tetrahydroquinazoline
CID 87167395
4-chloro-5-(trifluoromethyl)-7H-pyrrolo[3,4-d]pyrimidine
CID 88589202
2-Chloro-5-ethyl-4-(trifluoromethyl)pyrimidine
CID 89372271

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine (CID 168894448) is 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine is C=CCc1c(Cl)ncnc1C(F)(F)F.
What is the InChIKey of 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine?
The InChIKey is QOMVLBZBPMWSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2/c1-2-3-5-6(8(10,11)12)13-4-14-7(5)9/h2,4H,1,3H2.
What are the key properties of 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine?
4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine has a molecular weight of 222.60 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-prop-2-enyl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 168894448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).