(4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane

C16H17F3OTe — CID 102063740

IUPAC(4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane
SMILESC=CCCC1C/C(=C/[Te]c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C16H17F3OTe/c1-2-3-4-14-9-12(10-20-14)11-21-15-7-5-13(6-8-15)16(17,18)19/h2,5-8,11,14H,1,3-4,9-10H2/b12-11-
InChIKeyHISFTRFIWUHEEB-QXMHVHEDSA-N
MW409.91 g/mol
LogP3.67
Rot. Bonds5

About (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane

(4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane (PubChem CID 102063740) has the molecular formula C16H17F3OTe and a molecular weight of 409.91 g/mol. Its IUPAC name is (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane.

Molecular Properties

Compound Name(4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane
PubChem CID102063740
Molecular FormulaC16H17F3OTe
Molecular Weight409.91 g/mol
Exact Mass412.03
IUPAC Name(4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane
SMILESC=CCCC1C/C(=C/[Te]c2ccc(C(F)(F)F)cc2)CO1
InChIInChI=1S/C16H17F3OTe/c1-2-3-4-14-9-12(10-20-14)11-21-15-7-5-13(6-8-15)16(17,18)19/h2,5-8,11,14H,1,3-4,9-10H2/b12-11-
InChIKeyHISFTRFIWUHEEB-QXMHVHEDSA-N
XLogP3.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Benzyl[(E)-4,4,4-trifluoro-2-butenyl] ether
CID 10910927
2-(Benzyloxy)-3,3,3-trifluoro-1-propene
CID 102130486
2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770
2-(1,1-Difluoroprop-1-en-2-yl)-3-(2-phenylethyl)oxirane
CID 12038415
{[(1,3-Difluoropropan-2-yl)oxy]methyl}benzene
CID 13168526
((3,3-Difluorocyclobutoxy)methyl)benzene
CID 22500952
Benzyl[(1S)-1-methyl-2,2,2-trifluoroethyl] ether
CID 67197315
2-[4-(Trifluoromethyl)phenyl]tetrahydrofuran
CID 72665644
2-[2-(2-Fluorophenyl)ethenyl]oxolane
CID 85860955
2,2-Difluoroethoxymethylbenzene
CID 89022242
2-[2-(3-Fluorophenyl)ethenyl]oxolane
CID 134847394
3,3,3-Trifluoropropoxymethylbenzene
CID 141167342

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane?
The IUPAC name of (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane (CID 102063740) is (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane.
What is the SMILES notation for (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane?
The canonical SMILES for (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane is C=CCCC1C/C(=C/[Te]c2ccc(C(F)(F)F)cc2)CO1.
What is the InChIKey of (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane?
The InChIKey is HISFTRFIWUHEEB-QXMHVHEDSA-N. The full InChI is InChI=1S/C16H17F3OTe/c1-2-3-4-14-9-12(10-20-14)11-21-15-7-5-13(6-8-15)16(17,18)19/h2,5-8,11,14H,1,3-4,9-10H2/b12-11-.
What are the key properties of (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane?
(4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane has a molecular weight of 409.91 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane is sourced from PubChem (CID 102063740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).