cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone

C11H11F3N2O2 — CID 178036065

IUPACcyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone
SMILESC[C@@H](Oc1cc(C(=O)C2CC2)ncn1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c1-6(11(12,13)14)18-9-4-8(15-5-16-9)10(17)7-2-3-7/h4-7H,2-3H2,1H3/t6-/m1/s1
InChIKeyWUIKNVNMYIIEEW-ZCFIWIBFSA-N
MW260.21 g/mol
LogP2.40
Rot. Bonds4

About cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone

cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone (PubChem CID 178036065) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.21 g/mol. Its IUPAC name is cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone
PubChem CID178036065
Molecular FormulaC11H11F3N2O2
Molecular Weight260.21 g/mol
Exact Mass260.08
IUPAC Namecyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone
SMILESC[C@@H](Oc1cc(C(=O)C2CC2)ncn1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O2/c1-6(11(12,13)14)18-9-4-8(15-5-16-9)10(17)7-2-3-7/h4-7H,2-3H2,1H3/t6-/m1/s1
InChIKeyWUIKNVNMYIIEEW-ZCFIWIBFSA-N
XLogP2.40
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone?
The IUPAC name of cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone (CID 178036065) is cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone.
What is the SMILES notation for cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone?
The canonical SMILES for cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone is C[C@@H](Oc1cc(C(=O)C2CC2)ncn1)C(F)(F)F.
What is the InChIKey of cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone?
The InChIKey is WUIKNVNMYIIEEW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c1-6(11(12,13)14)18-9-4-8(15-5-16-9)10(17)7-2-3-7/h4-7H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone?
cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone has a molecular weight of 260.21 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methanone is sourced from PubChem (CID 178036065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).