5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine

C19H27F3N2 — CID 23190577

IUPAC5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
SMILESCCC1CCC(C2CCC(c3cnc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C19H27F3N2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-23-18(24-12-17)19(20,21)22/h11-16H,2-10H2,1H3
InChIKeyGJQNFNKBCLCMTK-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.99
Rot. Bonds3

About 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine

5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine (PubChem CID 23190577) has the molecular formula C19H27F3N2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
PubChem CID23190577
Molecular FormulaC19H27F3N2
Molecular Weight340.43 g/mol
Exact Mass340.21
IUPAC Name5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine
SMILESCCC1CCC(C2CCC(c3cnc(C(F)(F)F)nc3)CC2)CC1
InChIInChI=1S/C19H27F3N2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-23-18(24-12-17)19(20,21)22/h11-16H,2-10H2,1H3
InChIKeyGJQNFNKBCLCMTK-UHFFFAOYSA-N
XLogP5.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine (CID 23190577) is 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine is CCC1CCC(C2CCC(c3cnc(C(F)(F)F)nc3)CC2)CC1.
What is the InChIKey of 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is GJQNFNKBCLCMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-23-18(24-12-17)19(20,21)22/h11-16H,2-10H2,1H3.
What are the key properties of 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine?
5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 340.43 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 23190577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).