2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine

C15H16F4N2 — CID 121476179

IUPAC2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine
SMILESCCCc1cnc(C2=CC=C(CC)C(F)(F)C2(F)F)nc1
InChIInChI=1S/C15H16F4N2/c1-3-5-10-8-20-13(21-9-10)12-7-6-11(4-2)14(16,17)15(12,18)19/h6-9H,3-5H2,1-2H3
InChIKeyDPQMUSHJDCZIOA-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.43
Rot. Bonds4

About 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine

2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine (PubChem CID 121476179) has the molecular formula C15H16F4N2 and a molecular weight of 300.30 g/mol. Its IUPAC name is 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine.

Molecular Properties

Compound Name2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine
PubChem CID121476179
Molecular FormulaC15H16F4N2
Molecular Weight300.30 g/mol
Exact Mass300.12
IUPAC Name2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine
SMILESCCCc1cnc(C2=CC=C(CC)C(F)(F)C2(F)F)nc1
InChIInChI=1S/C15H16F4N2/c1-3-5-10-8-20-13(21-9-10)12-7-6-11(4-2)14(16,17)15(12,18)19/h6-9H,3-5H2,1-2H3
InChIKeyDPQMUSHJDCZIOA-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine?
The IUPAC name of 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine (CID 121476179) is 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine.
What is the SMILES notation for 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine?
The canonical SMILES for 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine is CCCc1cnc(C2=CC=C(CC)C(F)(F)C2(F)F)nc1.
What is the InChIKey of 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine?
The InChIKey is DPQMUSHJDCZIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N2/c1-3-5-10-8-20-13(21-9-10)12-7-6-11(4-2)14(16,17)15(12,18)19/h6-9H,3-5H2,1-2H3.
What are the key properties of 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine?
2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine has a molecular weight of 300.30 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-5,5,6,6-tetrafluorocyclohexa-1,3-dien-1-yl)-5-propylpyrimidine is sourced from PubChem (CID 121476179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).