4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine

C8H8F3N3 — CID 137490084

IUPAC4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CN(c2ccncn2)C1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)6-3-14(4-6)7-1-2-12-5-13-7/h1-2,5-6H,3-4H2
InChIKeyZKTPWAJGPWMAMQ-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.48
Rot. Bonds1

About 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine

4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine (PubChem CID 137490084) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine
PubChem CID137490084
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CN(c2ccncn2)C1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)6-3-14(4-6)7-1-2-12-5-13-7/h1-2,5-6H,3-4H2
InChIKeyZKTPWAJGPWMAMQ-UHFFFAOYSA-N
XLogP1.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine?
The IUPAC name of 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine (CID 137490084) is 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine is FC(F)(F)C1CN(c2ccncn2)C1.
What is the InChIKey of 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine?
The InChIKey is ZKTPWAJGPWMAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c9-8(10,11)6-3-14(4-6)7-1-2-12-5-13-7/h1-2,5-6H,3-4H2.
What are the key properties of 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine?
4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine has a molecular weight of 203.17 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 137490084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).