ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate

C12H14F2N2O3 — CID 137356919

IUPACethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CCC1c1ncc(OC(F)F)cn1
InChIInChI=1S/C12H14F2N2O3/c1-2-18-11(17)9-4-3-8(9)10-15-5-7(6-16-10)19-12(13)14/h5-6,8-9,12H,2-4H2,1H3
InChIKeyFUTASDBRWNOHKU-UHFFFAOYSA-N
MW272.25 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate

ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate (PubChem CID 137356919) has the molecular formula C12H14F2N2O3 and a molecular weight of 272.25 g/mol. Its IUPAC name is ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate
PubChem CID137356919
Molecular FormulaC12H14F2N2O3
Molecular Weight272.25 g/mol
Exact Mass272.10
IUPAC Nameethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate
SMILESCCOC(=O)C1CCC1c1ncc(OC(F)F)cn1
InChIInChI=1S/C12H14F2N2O3/c1-2-18-11(17)9-4-3-8(9)10-15-5-7(6-16-10)19-12(13)14/h5-6,8-9,12H,2-4H2,1H3
InChIKeyFUTASDBRWNOHKU-UHFFFAOYSA-N
XLogP2.13
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate?
The IUPAC name of ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate (CID 137356919) is ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate is CCOC(=O)C1CCC1c1ncc(OC(F)F)cn1.
What is the InChIKey of ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate?
The InChIKey is FUTASDBRWNOHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O3/c1-2-18-11(17)9-4-3-8(9)10-15-5-7(6-16-10)19-12(13)14/h5-6,8-9,12H,2-4H2,1H3.
What are the key properties of ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate?
ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate has a molecular weight of 272.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylate is sourced from PubChem (CID 137356919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).