2-cyclohexyl-4-(trifluoromethyl)pyrimidine

C11H13F3N2 — CID 54490860

IUPAC2-cyclohexyl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(C2CCCCC2)n1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-6-7-15-10(16-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHUGHMMRBAIBKHW-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.54
Rot. Bonds1

About 2-cyclohexyl-4-(trifluoromethyl)pyrimidine

2-cyclohexyl-4-(trifluoromethyl)pyrimidine (PubChem CID 54490860) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-cyclohexyl-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-cyclohexyl-4-(trifluoromethyl)pyrimidine
PubChem CID54490860
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name2-cyclohexyl-4-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1ccnc(C2CCCCC2)n1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)9-6-7-15-10(16-9)8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyHUGHMMRBAIBKHW-UHFFFAOYSA-N
XLogP3.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-cyclohexyl-4-(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

CID 10750222
CID 10750222
CID 10103447
CID 10103447
CID 11672715
CID 11672715
CID 95043512
CID 95043512
CID 97393770
CID 97393770
CID 97408789
CID 97408789
CID 137509203
CID 137509203
CID 63317603
CID 63317603
CID 84654592
CID 84654592
CID 132327527
CID 132327527
CID 132371651
CID 132371651
CID 56593014
CID 56593014

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-cyclohexyl-4-(trifluoromethyl)pyrimidine (CID 54490860) is 2-cyclohexyl-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-cyclohexyl-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-cyclohexyl-4-(trifluoromethyl)pyrimidine is FC(F)(F)c1ccnc(C2CCCCC2)n1.
What is the InChIKey of 2-cyclohexyl-4-(trifluoromethyl)pyrimidine?
The InChIKey is HUGHMMRBAIBKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)9-6-7-15-10(16-9)8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 2-cyclohexyl-4-(trifluoromethyl)pyrimidine?
2-cyclohexyl-4-(trifluoromethyl)pyrimidine has a molecular weight of 230.23 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 54490860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).