4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine

C9H3Cl2F3N2O — CID 178173715

IUPAC4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1c(Cl)nc(-c2ccoc2)nc1Cl
InChIInChI=1S/C9H3Cl2F3N2O/c10-6-5(9(12,13)14)7(11)16-8(15-6)4-1-2-17-3-4/h1-3H
InChIKeyFKCGMSGYMFNHQC-UHFFFAOYSA-N
MW283.04 g/mol
LogP4.06
Rot. Bonds1

About 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine

4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 178173715) has the molecular formula C9H3Cl2F3N2O and a molecular weight of 283.04 g/mol. Its IUPAC name is 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID178173715
Molecular FormulaC9H3Cl2F3N2O
Molecular Weight283.04 g/mol
Exact Mass281.96
IUPAC Name4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1c(Cl)nc(-c2ccoc2)nc1Cl
InChIInChI=1S/C9H3Cl2F3N2O/c10-6-5(9(12,13)14)7(11)16-8(15-6)4-1-2-17-3-4/h1-3H
InChIKeyFKCGMSGYMFNHQC-UHFFFAOYSA-N
XLogP4.06
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.04
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine (CID 178173715) is 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine is FC(F)(F)c1c(Cl)nc(-c2ccoc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is FKCGMSGYMFNHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F3N2O/c10-6-5(9(12,13)14)7(11)16-8(15-6)4-1-2-17-3-4/h1-3H.
What are the key properties of 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine?
4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 283.04 g/mol, XLogP of 4.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(furan-3-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 178173715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).