5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine

C8H7F3N6O — CID 139019080

IUPAC5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine
SMILESFC(F)(F)Cn1nnnc1COc1cncnc1
InChIInChI=1S/C8H7F3N6O/c9-8(10,11)4-17-7(14-15-16-17)3-18-6-1-12-5-13-2-6/h1-2,5H,3-4H2
InChIKeyNSBBMXWIIHCHHY-UHFFFAOYSA-N
MW260.18 g/mol
LogP0.60
Rot. Bonds4

About 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine

5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine (PubChem CID 139019080) has the molecular formula C8H7F3N6O and a molecular weight of 260.18 g/mol. Its IUPAC name is 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine
PubChem CID139019080
Molecular FormulaC8H7F3N6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine
SMILESFC(F)(F)Cn1nnnc1COc1cncnc1
InChIInChI=1S/C8H7F3N6O/c9-8(10,11)4-17-7(14-15-16-17)3-18-6-1-12-5-13-2-6/h1-2,5H,3-4H2
InChIKeyNSBBMXWIIHCHHY-UHFFFAOYSA-N
XLogP0.60
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine?
The IUPAC name of 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine (CID 139019080) is 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine.
What is the SMILES notation for 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine?
The canonical SMILES for 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine is FC(F)(F)Cn1nnnc1COc1cncnc1.
What is the InChIKey of 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine?
The InChIKey is NSBBMXWIIHCHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N6O/c9-8(10,11)4-17-7(14-15-16-17)3-18-6-1-12-5-13-2-6/h1-2,5H,3-4H2.
What are the key properties of 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine?
5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine has a molecular weight of 260.18 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methoxy]pyrimidine is sourced from PubChem (CID 139019080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).