2-pentoxy-4-(trifluoromethyl)pyrimidine

C10H13F3N2O — CID 70883374

IUPAC2-pentoxy-4-(trifluoromethyl)pyrimidine
SMILESCCCCCOc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-2-3-4-7-16-9-14-6-5-8(15-9)10(11,12)13/h5-6H,2-4,7H2,1H3
InChIKeyOVDAPMGGUWXYQS-UHFFFAOYSA-N
MW234.22 g/mol
LogP3.06
Rot. Bonds5

About 2-pentoxy-4-(trifluoromethyl)pyrimidine

2-pentoxy-4-(trifluoromethyl)pyrimidine (PubChem CID 70883374) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-pentoxy-4-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-pentoxy-4-(trifluoromethyl)pyrimidine
PubChem CID70883374
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name2-pentoxy-4-(trifluoromethyl)pyrimidine
SMILESCCCCCOc1nccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O/c1-2-3-4-7-16-9-14-6-5-8(15-9)10(11,12)13/h5-6H,2-4,7H2,1H3
InChIKeyOVDAPMGGUWXYQS-UHFFFAOYSA-N
XLogP3.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-4-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-pentoxy-4-(trifluoromethyl)pyrimidine (CID 70883374) is 2-pentoxy-4-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-pentoxy-4-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-pentoxy-4-(trifluoromethyl)pyrimidine is CCCCCOc1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-pentoxy-4-(trifluoromethyl)pyrimidine?
The InChIKey is OVDAPMGGUWXYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c1-2-3-4-7-16-9-14-6-5-8(15-9)10(11,12)13/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-pentoxy-4-(trifluoromethyl)pyrimidine?
2-pentoxy-4-(trifluoromethyl)pyrimidine has a molecular weight of 234.22 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-4-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 70883374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).