2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid

C10H10F2N2O3 — CID 137356932

IUPAC2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1c1ncc(OC(F)F)cn1
InChIInChI=1S/C10H10F2N2O3/c11-10(12)17-5-3-13-8(14-4-5)6-1-2-7(6)9(15)16/h3-4,6-7,10H,1-2H2,(H,15,16)
InChIKeyCZMYZDFFYNHDOS-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.66
Rot. Bonds4

About 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid

2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid (PubChem CID 137356932) has the molecular formula C10H10F2N2O3 and a molecular weight of 244.20 g/mol. Its IUPAC name is 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid
PubChem CID137356932
Molecular FormulaC10H10F2N2O3
Molecular Weight244.20 g/mol
Exact Mass244.07
IUPAC Name2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1c1ncc(OC(F)F)cn1
InChIInChI=1S/C10H10F2N2O3/c11-10(12)17-5-3-13-8(14-4-5)6-1-2-7(6)9(15)16/h3-4,6-7,10H,1-2H2,(H,15,16)
InChIKeyCZMYZDFFYNHDOS-UHFFFAOYSA-N
XLogP1.66
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid (CID 137356932) is 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1c1ncc(OC(F)F)cn1.
What is the InChIKey of 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid?
The InChIKey is CZMYZDFFYNHDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3/c11-10(12)17-5-3-13-8(14-4-5)6-1-2-7(6)9(15)16/h3-4,6-7,10H,1-2H2,(H,15,16).
What are the key properties of 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid?
2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid has a molecular weight of 244.20 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethoxy)pyrimidin-2-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 137356932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).