2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene

C10H12F2O3S — CID 134996287

IUPAC2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene
SMILESCOCCOCOC(=C(F)F)c1cccs1
InChIInChI=1S/C10H12F2O3S/c1-13-4-5-14-7-15-9(10(11)12)8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3
InChIKeyISSZAPPSTKUHML-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.95
Rot. Bonds7

About 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene

2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene (PubChem CID 134996287) has the molecular formula C10H12F2O3S and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene.

Molecular Properties

Compound Name2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene
PubChem CID134996287
Molecular FormulaC10H12F2O3S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Name2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene
SMILESCOCCOCOC(=C(F)F)c1cccs1
InChIInChI=1S/C10H12F2O3S/c1-13-4-5-14-7-15-9(10(11)12)8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3
InChIKeyISSZAPPSTKUHML-UHFFFAOYSA-N
XLogP2.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[Thiophen-2-yl-(2,2,2-trifluoroacetyl)oxymethyl] 2,2,2-trifluoroacetate
CID 90299388
(Acetyloxy)(thiophen-2-yl)methyl acetate
CID 2797620
2-Acetylthiophene ethylene acetal
CID 7010305
2-Dimethoxymethyl-thiophene
CID 11819307
(Z)-4-ethoxy-1,1,1-trifluoro-4-thiophen-2-ylbut-3-en-2-one
CID 139216719
2-(1,1-Dimethoxyethyl)thiophene
CID 11446598
2-(Diethoxymethyl)thiophene
CID 12280018
2-(Thiophen-2-yl)-1,3-dioxane
CID 82111316
2-[1,2,2,2-Tetrafluoro-1-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]thiophene
CID 15711448
2-(Trifluoromethoxymethyl)thiophene
CID 119098252
2-(4,5-Difluorothiophen-2-yl)-2-methyl-1,3-dioxolane
CID 24764017
CID 58450205
CID 58450205

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene?
The IUPAC name of 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene (CID 134996287) is 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene.
What is the SMILES notation for 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene?
The canonical SMILES for 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene is COCCOCOC(=C(F)F)c1cccs1.
What is the InChIKey of 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene?
The InChIKey is ISSZAPPSTKUHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3S/c1-13-4-5-14-7-15-9(10(11)12)8-3-2-6-16-8/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene?
2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene has a molecular weight of 250.27 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-1-(2-methoxyethoxymethoxy)ethenyl]thiophene is sourced from PubChem (CID 134996287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).