2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine

C8H6ClF3N2 — CID 123676762

IUPAC2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine
SMILESFC(F)(F)CC=Cc1cnc(Cl)nc1
InChIInChI=1S/C8H6ClF3N2/c9-7-13-4-6(5-14-7)2-1-3-8(10,11)12/h1-2,4-5H,3H2
InChIKeyCNIPWARAIQHOSI-UHFFFAOYSA-N
MW222.60 g/mol
LogP3.10
Rot. Bonds2

About 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine

2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine (PubChem CID 123676762) has the molecular formula C8H6ClF3N2 and a molecular weight of 222.60 g/mol. Its IUPAC name is 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine
PubChem CID123676762
Molecular FormulaC8H6ClF3N2
Molecular Weight222.60 g/mol
Exact Mass222.02
IUPAC Name2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine
SMILESFC(F)(F)CC=Cc1cnc(Cl)nc1
InChIInChI=1S/C8H6ClF3N2/c9-7-13-4-6(5-14-7)2-1-3-8(10,11)12/h1-2,4-5H,3H2
InChIKeyCNIPWARAIQHOSI-UHFFFAOYSA-N
XLogP3.10
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine?
The IUPAC name of 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine (CID 123676762) is 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine?
The canonical SMILES for 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine is FC(F)(F)CC=Cc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine?
The InChIKey is CNIPWARAIQHOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N2/c9-7-13-4-6(5-14-7)2-1-3-8(10,11)12/h1-2,4-5H,3H2.
What are the key properties of 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine?
2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine has a molecular weight of 222.60 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4,4,4-trifluorobut-1-enyl)pyrimidine is sourced from PubChem (CID 123676762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).