5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine

C14H16F4N2 — CID 58665439

IUPAC5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine
SMILESCc1cnc(C2CCC(C=C(F)C(F)(F)F)CC2)nc1
InChIInChI=1S/C14H16F4N2/c1-9-7-19-13(20-8-9)11-4-2-10(3-5-11)6-12(15)14(16,17)18/h6-8,10-11H,2-5H2,1H3
InChIKeyOEIOSDJKKANPKP-UHFFFAOYSA-N
MW288.29 g/mol
LogP4.47
Rot. Bonds2

About 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine

5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine (PubChem CID 58665439) has the molecular formula C14H16F4N2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine
PubChem CID58665439
Molecular FormulaC14H16F4N2
Molecular Weight288.29 g/mol
Exact Mass288.12
IUPAC Name5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine
SMILESCc1cnc(C2CCC(C=C(F)C(F)(F)F)CC2)nc1
InChIInChI=1S/C14H16F4N2/c1-9-7-19-13(20-8-9)11-4-2-10(3-5-11)6-12(15)14(16,17)18/h6-8,10-11H,2-5H2,1H3
InChIKeyOEIOSDJKKANPKP-UHFFFAOYSA-N
XLogP4.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine?
The IUPAC name of 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine (CID 58665439) is 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine?
The canonical SMILES for 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine is Cc1cnc(C2CCC(C=C(F)C(F)(F)F)CC2)nc1.
What is the InChIKey of 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine?
The InChIKey is OEIOSDJKKANPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4N2/c1-9-7-19-13(20-8-9)11-4-2-10(3-5-11)6-12(15)14(16,17)18/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine?
5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine has a molecular weight of 288.29 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine is sourced from PubChem (CID 58665439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).