carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine

C9H9F3N2O2 — CID 159725601

IUPACcarbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine
SMILESCCCc1cnc(C(F)(F)F)nc1.O=C=O
InChIInChI=1S/C8H9F3N2.CO2/c1-2-3-6-4-12-7(13-5-6)8(9,10)11;2-1-3/h4-5H,2-3H2,1H3;
InChIKeyNAOZURUTAPBDGC-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.86
Rot. Bonds2

About carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine

carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine (PubChem CID 159725601) has the molecular formula C9H9F3N2O2 and a molecular weight of 234.18 g/mol. Its IUPAC name is carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Namecarbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine
PubChem CID159725601
Molecular FormulaC9H9F3N2O2
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Namecarbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine
SMILESCCCc1cnc(C(F)(F)F)nc1.O=C=O
InChIInChI=1S/C8H9F3N2.CO2/c1-2-3-6-4-12-7(13-5-6)8(9,10)11;2-1-3/h4-5H,2-3H2,1H3;
InChIKeyNAOZURUTAPBDGC-UHFFFAOYSA-N
XLogP1.86
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine?
The IUPAC name of carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine (CID 159725601) is carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine is CCCc1cnc(C(F)(F)F)nc1.O=C=O.
What is the InChIKey of carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine?
The InChIKey is NAOZURUTAPBDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2.CO2/c1-2-3-6-4-12-7(13-5-6)8(9,10)11;2-1-3/h4-5H,2-3H2,1H3;.
What are the key properties of carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine?
carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine has a molecular weight of 234.18 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;5-propyl-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 159725601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).