2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine

C11H4F10N2 — CID 101033013

IUPAC2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
SMILESFC1=C(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)N2C=CC=CC2=N1
InChIInChI=1S/C11H4F10N2/c12-7-6(9(14,15)16)8(13,10(17,18)11(19,20)21)23-4-2-1-3-5(23)22-7/h1-4H
InChIKeyIYJITXDURBWUJO-UHFFFAOYSA-N
MW354.15 g/mol
LogP4.39
Rot. Bonds1

About 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine

2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine (PubChem CID 101033013) has the molecular formula C11H4F10N2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
PubChem CID101033013
Molecular FormulaC11H4F10N2
Molecular Weight354.15 g/mol
Exact Mass354.02
IUPAC Name2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
SMILESFC1=C(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)N2C=CC=CC2=N1
InChIInChI=1S/C11H4F10N2/c12-7-6(9(14,15)16)8(13,10(17,18)11(19,20)21)23-4-2-1-3-5(23)22-7/h1-4H
InChIKeyIYJITXDURBWUJO-UHFFFAOYSA-N
XLogP4.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4,8-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 6624631
4,9-dimethyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5147575
4-methyl-2,2-bis(trifluoromethyl)-2H-pyrido[1,2-a][1,3,5]triazine
CID 5226153
4,7-Dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 17390122
2-(trifluoromethyl)-4H-pyrido[1,2-a]pyrimidine-8-carbonitrile
CID 156409654
N-methyl-1-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 156651505
Ethane;7-ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746972
2,4-Difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 15517147
2-Fluoro-2,4-bis(1,1,2,2,3,3,3-heptafluoropropyl)pyrido[1,2-a][1,3,5]triazine
CID 15517155
7-Ethyl-4-methylidene-2-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 156746973

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The IUPAC name of 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine (CID 101033013) is 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine is FC1=C(C(F)(F)F)C(F)(C(F)(F)C(F)(F)F)N2C=CC=CC2=N1.
What is the InChIKey of 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The InChIKey is IYJITXDURBWUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F10N2/c12-7-6(9(14,15)16)8(13,10(17,18)11(19,20)21)23-4-2-1-3-5(23)22-7/h1-4H.
What are the key properties of 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine has a molecular weight of 354.15 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 101033013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).