4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine

C11H13F3N2O — CID 174643760

IUPAC4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cncnc1OC1CCCCC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-6-15-7-16-10(9)17-8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyFIDRNLCCRCKMEV-UHFFFAOYSA-N
MW246.23 g/mol
LogP3.21
Rot. Bonds2

About 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine

4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine (PubChem CID 174643760) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine
PubChem CID174643760
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC Name4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cncnc1OC1CCCCC1
InChIInChI=1S/C11H13F3N2O/c12-11(13,14)9-6-15-7-16-10(9)17-8-4-2-1-3-5-8/h6-8H,1-5H2
InChIKeyFIDRNLCCRCKMEV-UHFFFAOYSA-N
XLogP3.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine (CID 174643760) is 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1cncnc1OC1CCCCC1.
What is the InChIKey of 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is FIDRNLCCRCKMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c12-11(13,14)9-6-15-7-16-10(9)17-8-4-2-1-3-5-8/h6-8H,1-5H2.
What are the key properties of 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine?
4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 246.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyloxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 174643760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).