2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine

C16H20F2N2 — CID 139627585

IUPAC2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine
SMILESC=CC1=C(c2ncc(C)cn2)C(F)(F)C(CCC)CC1
InChIInChI=1S/C16H20F2N2/c1-4-6-13-8-7-12(5-2)14(16(13,17)18)15-19-9-11(3)10-20-15/h5,9-10,13H,2,4,6-8H2,1,3H3
InChIKeyYRRJORMXLBNJIF-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.57
Rot. Bonds4

About 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine

2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine (PubChem CID 139627585) has the molecular formula C16H20F2N2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine
PubChem CID139627585
Molecular FormulaC16H20F2N2
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine
SMILESC=CC1=C(c2ncc(C)cn2)C(F)(F)C(CCC)CC1
InChIInChI=1S/C16H20F2N2/c1-4-6-13-8-7-12(5-2)14(16(13,17)18)15-19-9-11(3)10-20-15/h5,9-10,13H,2,4,6-8H2,1,3H3
InChIKeyYRRJORMXLBNJIF-UHFFFAOYSA-N
XLogP4.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine?
The IUPAC name of 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine (CID 139627585) is 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine?
The canonical SMILES for 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine is C=CC1=C(c2ncc(C)cn2)C(F)(F)C(CCC)CC1.
What is the InChIKey of 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine?
The InChIKey is YRRJORMXLBNJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N2/c1-4-6-13-8-7-12(5-2)14(16(13,17)18)15-19-9-11(3)10-20-15/h5,9-10,13H,2,4,6-8H2,1,3H3.
What are the key properties of 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine?
2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine has a molecular weight of 278.35 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenyl-6,6-difluoro-5-propylcyclohexen-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 139627585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).