4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine

C14H18ClF3N2O — CID 106766626

IUPAC4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine
SMILESCC1CC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC(C)(C)C1
InChIInChI=1S/C14H18ClF3N2O/c1-8-4-9(7-13(2,3)6-8)21-11-5-10(15)19-12(20-11)14(16,17)18/h5,8-9H,4,6-7H2,1-3H3
InChIKeyBWOQDSGOANHFSS-UHFFFAOYSA-N
MW322.76 g/mol
LogP4.74
Rot. Bonds2

About 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine

4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine (PubChem CID 106766626) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine
PubChem CID106766626
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine
SMILESCC1CC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC(C)(C)C1
InChIInChI=1S/C14H18ClF3N2O/c1-8-4-9(7-13(2,3)6-8)21-11-5-10(15)19-12(20-11)14(16,17)18/h5,8-9H,4,6-7H2,1-3H3
InChIKeyBWOQDSGOANHFSS-UHFFFAOYSA-N
XLogP4.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The IUPAC name of 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine (CID 106766626) is 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine.
What is the SMILES notation for 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The canonical SMILES for 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine is CC1CC(Oc2cc(Cl)nc(C(F)(F)F)n2)CC(C)(C)C1.
What is the InChIKey of 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
The InChIKey is BWOQDSGOANHFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2O/c1-8-4-9(7-13(2,3)6-8)21-11-5-10(15)19-12(20-11)14(16,17)18/h5,8-9H,4,6-7H2,1-3H3.
What are the key properties of 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine?
4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine has a molecular weight of 322.76 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(trifluoromethyl)-6-(3,3,5-trimethylcyclohexyl)oxypyrimidine is sourced from PubChem (CID 106766626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).