(2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone

C14H8ClF3N2O2 — CID 67799112

IUPAC(2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone
SMILESO=C(c1nc2c(c(C(F)(F)F)n1)CCO2)c1ccccc1Cl
InChIInChI=1S/C14H8ClF3N2O2/c15-9-4-2-1-3-7(9)10(21)12-19-11(14(16,17)18)8-5-6-22-13(8)20-12/h1-4H,5-6H2
InChIKeyQBFSHSZTAIXONI-UHFFFAOYSA-N
MW328.68 g/mol
LogP3.31
Rot. Bonds2

About (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone

(2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone (PubChem CID 67799112) has the molecular formula C14H8ClF3N2O2 and a molecular weight of 328.68 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone
PubChem CID67799112
Molecular FormulaC14H8ClF3N2O2
Molecular Weight328.68 g/mol
Exact Mass328.02
IUPAC Name(2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone
SMILESO=C(c1nc2c(c(C(F)(F)F)n1)CCO2)c1ccccc1Cl
InChIInChI=1S/C14H8ClF3N2O2/c15-9-4-2-1-3-7(9)10(21)12-19-11(14(16,17)18)8-5-6-22-13(8)20-12/h1-4H,5-6H2
InChIKeyQBFSHSZTAIXONI-UHFFFAOYSA-N
XLogP3.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone (CID 67799112) is (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone is O=C(c1nc2c(c(C(F)(F)F)n1)CCO2)c1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone?
The InChIKey is QBFSHSZTAIXONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2/c15-9-4-2-1-3-7(9)10(21)12-19-11(14(16,17)18)8-5-6-22-13(8)20-12/h1-4H,5-6H2.
What are the key properties of (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone?
(2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone has a molecular weight of 328.68 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-(trifluoromethyl)-5,6-dihydrofuro[2,3-d]pyrimidin-2-yl]methanone is sourced from PubChem (CID 67799112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).