2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

C14H11F3N2O — CID 141289904

IUPAC2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc3c(n2)CCOC3)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-9(2-4-11)13-18-7-10-8-20-6-5-12(10)19-13/h1-4,7H,5-6,8H2
InChIKeyQHFFUSGIZVPBFD-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.24
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine

2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (PubChem CID 141289904) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
PubChem CID141289904
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
SMILESFC(F)(F)c1ccc(-c2ncc3c(n2)CCOC3)cc1
InChIInChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-9(2-4-11)13-18-7-10-8-20-6-5-12(10)19-13/h1-4,7H,5-6,8H2
InChIKeyQHFFUSGIZVPBFD-UHFFFAOYSA-N
XLogP3.24
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine (CID 141289904) is 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is FC(F)(F)c1ccc(-c2ncc3c(n2)CCOC3)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
The InChIKey is QHFFUSGIZVPBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-14(16,17)11-3-1-9(2-4-11)13-18-7-10-8-20-6-5-12(10)19-13/h1-4,7H,5-6,8H2.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine?
2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine has a molecular weight of 280.25 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine is sourced from PubChem (CID 141289904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).