3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide

C13H15F4N3O2 — CID 91626415

IUPAC3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESO=C(CC(F)(F)F)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H15F4N3O2/c14-8-6-18-12(19-7-8)22-10-3-1-9(2-4-10)20-11(21)5-13(15,16)17/h6-7,9-10H,1-5H2,(H,20,21)
InChIKeyJKEIGHPUCVWSTP-UHFFFAOYSA-N
MW321.27 g/mol
LogP2.37
Rot. Bonds4

About 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide

3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide (PubChem CID 91626415) has the molecular formula C13H15F4N3O2 and a molecular weight of 321.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
PubChem CID91626415
Molecular FormulaC13H15F4N3O2
Molecular Weight321.27 g/mol
Exact Mass321.11
IUPAC Name3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide
SMILESO=C(CC(F)(F)F)NC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C13H15F4N3O2/c14-8-6-18-12(19-7-8)22-10-3-1-9(2-4-10)20-11(21)5-13(15,16)17/h6-7,9-10H,1-5H2,(H,20,21)
InChIKeyJKEIGHPUCVWSTP-UHFFFAOYSA-N
XLogP2.37
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide (CID 91626415) is 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide is O=C(CC(F)(F)F)NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
The InChIKey is JKEIGHPUCVWSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3O2/c14-8-6-18-12(19-7-8)22-10-3-1-9(2-4-10)20-11(21)5-13(15,16)17/h6-7,9-10H,1-5H2,(H,20,21).
What are the key properties of 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide?
3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide has a molecular weight of 321.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]propanamide is sourced from PubChem (CID 91626415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).