5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine

C9H9F3N2 — CID 123212748

IUPAC5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC=C(C)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2/c1-3-6(2)7-4-13-8(14-5-7)9(10,11)12/h3-5H,1-2H3
InChIKeyKAIACPQKKSKDIR-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.92
Rot. Bonds1

About 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine

5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine (PubChem CID 123212748) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine
PubChem CID123212748
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine
SMILESCC=C(C)c1cnc(C(F)(F)F)nc1
InChIInChI=1S/C9H9F3N2/c1-3-6(2)7-4-13-8(14-5-7)9(10,11)12/h3-5H,1-2H3
InChIKeyKAIACPQKKSKDIR-UHFFFAOYSA-N
XLogP2.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine (CID 123212748) is 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine is CC=C(C)c1cnc(C(F)(F)F)nc1.
What is the InChIKey of 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine?
The InChIKey is KAIACPQKKSKDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c1-3-6(2)7-4-13-8(14-5-7)9(10,11)12/h3-5H,1-2H3.
What are the key properties of 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine?
5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine has a molecular weight of 202.18 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-en-2-yl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 123212748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).