2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine

C20H12F4N2O2 — CID 139215016

IUPAC2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine
SMILESFC(F)=COc1ccc(-c2ccnc(-c3ccc(OC=C(F)F)cc3)n2)cc1
InChIInChI=1S/C20H12F4N2O2/c21-18(22)11-27-15-5-1-13(2-6-15)17-9-10-25-20(26-17)14-3-7-16(8-4-14)28-12-19(23)24/h1-12H
InChIKeyZNLOKVNXMDVSEV-UHFFFAOYSA-N
MW388.32 g/mol
LogP6.04
Rot. Bonds6

About 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine

2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine (PubChem CID 139215016) has the molecular formula C20H12F4N2O2 and a molecular weight of 388.32 g/mol. Its IUPAC name is 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine
PubChem CID139215016
Molecular FormulaC20H12F4N2O2
Molecular Weight388.32 g/mol
Exact Mass388.08
IUPAC Name2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine
SMILESFC(F)=COc1ccc(-c2ccnc(-c3ccc(OC=C(F)F)cc3)n2)cc1
InChIInChI=1S/C20H12F4N2O2/c21-18(22)11-27-15-5-1-13(2-6-15)17-9-10-25-20(26-17)14-3-7-16(8-4-14)28-12-19(23)24/h1-12H
InChIKeyZNLOKVNXMDVSEV-UHFFFAOYSA-N
XLogP6.04
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.32
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Thonzylamine
CID 5457
Pyrimidine, 5-hexyl-2-[4-(nonyloxy)phenyl]-
CID 3084983
(2s)-2-(4-Methoxy-3,5-Dimethylphenyl)-5-Methyl-2-(3-Pyrimidin-5-Ylphenyl)-2h-Imidazol-4-Amine
CID 49836033
4-[4-(2-Methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]morpholine
CID 2989573
2-[4-(Trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 2812032
5-[(4-Methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10380992
2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44418336
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 12293992
Pyrimidine, 5-hexyl-2-[4-(pentyloxy)phenyl]-
CID 12238609
Pyrimidine, 2-[4-(heptyloxy)phenyl]-5-hexyl-
CID 12238611
4-(4-methoxyphenyl)-1-{[4-(trifluoromethyl)phenyl]methyl}-1H-imidazole
CID 6539911
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine?
The IUPAC name of 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine (CID 139215016) is 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine.
What is the SMILES notation for 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine?
The canonical SMILES for 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine is FC(F)=COc1ccc(-c2ccnc(-c3ccc(OC=C(F)F)cc3)n2)cc1.
What is the InChIKey of 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine?
The InChIKey is ZNLOKVNXMDVSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4N2O2/c21-18(22)11-27-15-5-1-13(2-6-15)17-9-10-25-20(26-17)14-3-7-16(8-4-14)28-12-19(23)24/h1-12H.
What are the key properties of 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine?
2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine has a molecular weight of 388.32 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[4-(2,2-difluoroethenoxy)phenyl]pyrimidine is sourced from PubChem (CID 139215016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).