1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene

C13H11F3OTe — CID 134881449

IUPAC1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene
SMILESC#CCOC1CC1[Te]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3OTe/c1-2-7-17-11-8-12(11)18-10-5-3-9(4-6-10)13(14,15)16/h1,3-6,11-12H,7-8H2
InChIKeyHAOYTGXYJBWWMR-UHFFFAOYSA-N
MW367.82 g/mol
LogP2.25
Rot. Bonds4

About 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene

1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene (PubChem CID 134881449) has the molecular formula C13H11F3OTe and a molecular weight of 367.82 g/mol. Its IUPAC name is 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene
PubChem CID134881449
Molecular FormulaC13H11F3OTe
Molecular Weight367.82 g/mol
Exact Mass369.98
IUPAC Name1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene
SMILESC#CCOC1CC1[Te]c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H11F3OTe/c1-2-7-17-11-8-12(11)18-10-5-3-9(4-6-10)13(14,15)16/h1,3-6,11-12H,7-8H2
InChIKeyHAOYTGXYJBWWMR-UHFFFAOYSA-N
XLogP2.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.82
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Butyn-2-ol, 1,1,1-trifluoro-4-phenyl-
CID 11412978
[(Z)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene
CID 11021122
(S)-1,1,1-Trifluoro-4-phenyl-3-butyne-2-ol
CID 101470069
[3-(Prop-2-ynyloxy)-prop-1-ynyl]-benzene
CID 3500025
trans-1-Phenyl-3,4-epoxy-1-pentyne
CID 539078
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
1-(2-Prop-2-ynoxyhex-5-enyltellanyl)-4-(trifluoromethyl)benzene
CID 15274703
1-(2-Prop-2-ynoxybutyltellanyl)-4-(trifluoromethyl)benzene
CID 85708468
[(E)-4-ethoxy-5,5,5-trifluoropent-3-enyl]benzene
CID 134895147
2-[2-(4-Fluorophenyl)ethynyl]oxirane
CID 164665157

Frequently Asked Questions

What is the IUPAC name of 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene (CID 134881449) is 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene is C#CCOC1CC1[Te]c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene?
The InChIKey is HAOYTGXYJBWWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3OTe/c1-2-7-17-11-8-12(11)18-10-5-3-9(4-6-10)13(14,15)16/h1,3-6,11-12H,7-8H2.
What are the key properties of 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene?
1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene has a molecular weight of 367.82 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-prop-2-ynoxycyclopropyl)tellanyl-4-(trifluoromethyl)benzene is sourced from PubChem (CID 134881449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).