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

C11H4F10N2 — CID 15517147

IUPAC2,4-difluoro-2-(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)N=C2C=CC=CN21
InChIInChI=1S/C11H4F10N2/c12-7-6(9(14,15)16)8(13,10(17,18)11(19,20)21)22-5-3-1-2-4-23(5)7/h1-4H
InChIKeyDFYCCMKQXHOXIE-UHFFFAOYSA-N
MW354.15 g/mol
LogP4.39
Rot. Bonds1

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

2,4-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine (PubChem CID 15517147) has the molecular formula C11H4F10N2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2,4-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,4-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
PubChem CID15517147
Molecular FormulaC11H4F10N2
Molecular Weight354.15 g/mol
Exact Mass354.02
IUPAC Name2,4-difluoro-2-(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)N=C2C=CC=CN21
InChIInChI=1S/C11H4F10N2/c12-7-6(9(14,15)16)8(13,10(17,18)11(19,20)21)22-5-3-1-2-4-23(5)7/h1-4H
InChIKeyDFYCCMKQXHOXIE-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
4,7-Dimethyl-2,2-bis(trifluoromethyl)pyrido[1,2-a][1,3,5]triazine
CID 17390122
1-ethenyl-N-methyl-4-(trifluoromethyl)pyridin-2-imine
CID 146507514
2,4-Difluoro-4-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine
CID 101033013
1-methyl-N-prop-1-en-2-yl-4-(trifluoromethyl)pyridin-2-imine
CID 143911527
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-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The IUPAC name of 2,4-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine (CID 15517147) is 2,4-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2,4-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2,4-difluoro-2-(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)N=C2C=CC=CN21.
What is the InChIKey of 2,4-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
The InChIKey is DFYCCMKQXHOXIE-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)22-5-3-1-2-4-23(5)7/h1-4H.
What are the key properties of 2,4-difluoro-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine?
2,4-difluoro-2-(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-2-(1,1,2,2,2-pentafluoroethyl)-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 15517147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).