4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile

C7H5F2N3O2 — CID 67885012

IUPAC4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile
SMILESN#Cc1nc(OCF)cc(OCF)n1
InChIInChI=1S/C7H5F2N3O2/c8-3-13-6-1-7(14-4-9)12-5(2-10)11-6/h1H,3-4H2
InChIKeyIYEHHHYQJGKSGY-UHFFFAOYSA-N
MW201.13 g/mol
LogP0.96
Rot. Bonds4

About 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile

4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile (PubChem CID 67885012) has the molecular formula C7H5F2N3O2 and a molecular weight of 201.13 g/mol. Its IUPAC name is 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile
PubChem CID67885012
Molecular FormulaC7H5F2N3O2
Molecular Weight201.13 g/mol
Exact Mass201.03
IUPAC Name4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile
SMILESN#Cc1nc(OCF)cc(OCF)n1
InChIInChI=1S/C7H5F2N3O2/c8-3-13-6-1-7(14-4-9)12-5(2-10)11-6/h1H,3-4H2
InChIKeyIYEHHHYQJGKSGY-UHFFFAOYSA-N
XLogP0.96
TPSA68.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.13
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile?
The IUPAC name of 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile (CID 67885012) is 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile?
The canonical SMILES for 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile is N#Cc1nc(OCF)cc(OCF)n1.
What is the InChIKey of 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile?
The InChIKey is IYEHHHYQJGKSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2N3O2/c8-3-13-6-1-7(14-4-9)12-5(2-10)11-6/h1H,3-4H2.
What are the key properties of 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile?
4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile has a molecular weight of 201.13 g/mol, XLogP of 0.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(fluoromethoxy)pyrimidine-2-carbonitrile is sourced from PubChem (CID 67885012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).