1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene

C16H17F3OTe — CID 15274703

IUPAC1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene
SMILESC#CCOC(CCC=C)C[Te]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3OTe/c1-3-5-6-14(20-11-4-2)12-21-15-9-7-13(8-10-15)16(17,18)19/h2-3,7-10,14H,1,5-6,11-12H2
InChIKeyCZTZRACGVZYYOH-UHFFFAOYSA-N
MW409.91 g/mol
LogP3.44
Rot. Bonds8

About 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene

1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene (PubChem CID 15274703) has the molecular formula C16H17F3OTe and a molecular weight of 409.91 g/mol. Its IUPAC name is 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene
PubChem CID15274703
Molecular FormulaC16H17F3OTe
Molecular Weight409.91 g/mol
Exact Mass412.03
IUPAC Name1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene
SMILESC#CCOC(CCC=C)C[Te]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H17F3OTe/c1-3-5-6-14(20-11-4-2)12-21-15-9-7-13(8-10-15)16(17,18)19/h2-3,7-10,14H,1,5-6,11-12H2
InChIKeyCZTZRACGVZYYOH-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 53.44
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Difluoromethyl)-3-phenyl-2-propyn-1-ol
CID 10035250
[(Z)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]benzene
CID 10878552
1-(3-Prop-2-enoxy-2-prop-2-ynoxypropyl)tellanyl-4-(trifluoromethyl)benzene
CID 10895184
[(1E,3E,4E)-3-(1-ethoxy-2,2,2-trifluoroethylidene)nona-1,4-dienyl]benzene
CID 11131146
1-(2-Prop-2-ynoxybutyltellanyl)-4-(trifluoromethyl)benzene
CID 85708468
(4Z)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane
CID 102063740
2-[2-(4-Fluorophenyl)ethynyl]oxolane
CID 102141433
1-(2-Prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene
CID 134881449
(4E)-2-but-3-enyl-4-[[4-(trifluoromethyl)phenyl]tellanylmethylidene]oxolane
CID 134931970
2-[2-(3-Fluorophenyl)ethynyl]oxolane
CID 162417779
(3-Ethoxy-5,5,5-trifluoropent-1-ynyl)benzene
CID 166441574
3-(Trifluoromethoxy)prop-1-ynylbenzene
CID 176438193

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene (CID 15274703) is 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene is C#CCOC(CCC=C)C[Te]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene?
The InChIKey is CZTZRACGVZYYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3OTe/c1-3-5-6-14(20-11-4-2)12-21-15-9-7-13(8-10-15)16(17,18)19/h2-3,7-10,14H,1,5-6,11-12H2.
What are the key properties of 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene?
1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene has a molecular weight of 409.91 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene is sourced from PubChem (CID 15274703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).