4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine

C6H3F5N2O — CID 19876372

IUPAC4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)Oc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C6H3F5N2O/c7-5(8)14-4-1-3(6(9,10)11)12-2-13-4/h1-2,5H
InChIKeySIKHNDOYGAOTBO-UHFFFAOYSA-N
MW214.09 g/mol
LogP2.10
Rot. Bonds2

About 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine

4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine (PubChem CID 19876372) has the molecular formula C6H3F5N2O and a molecular weight of 214.09 g/mol. Its IUPAC name is 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine
PubChem CID19876372
Molecular FormulaC6H3F5N2O
Molecular Weight214.09 g/mol
Exact Mass214.02
IUPAC Name4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine
SMILESFC(F)Oc1cc(C(F)(F)F)ncn1
InChIInChI=1S/C6H3F5N2O/c7-5(8)14-4-1-3(6(9,10)11)12-2-13-4/h1-2,5H
InChIKeySIKHNDOYGAOTBO-UHFFFAOYSA-N
XLogP2.10
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine (CID 19876372) is 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine is FC(F)Oc1cc(C(F)(F)F)ncn1.
What is the InChIKey of 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine?
The InChIKey is SIKHNDOYGAOTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F5N2O/c7-5(8)14-4-1-3(6(9,10)11)12-2-13-4/h1-2,5H.
What are the key properties of 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine?
4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine has a molecular weight of 214.09 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 19876372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).