2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene

C8H7F3OS — CID 10679856

IUPAC2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene
SMILESCO/C(=C/C(F)(F)F)c1cccs1
InChIInChI=1S/C8H7F3OS/c1-12-6(5-8(9,10)11)7-3-2-4-13-7/h2-5H,1H3/b6-5+
InChIKeySADDRHNGMAQAFK-AATRIKPKSA-N
MW208.20 g/mol
LogP3.30
Rot. Bonds2

About 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene

2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene (PubChem CID 10679856) has the molecular formula C8H7F3OS and a molecular weight of 208.20 g/mol. Its IUPAC name is 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene.

Molecular Properties

Compound Name2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene
PubChem CID10679856
Molecular FormulaC8H7F3OS
Molecular Weight208.20 g/mol
Exact Mass208.02
IUPAC Name2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene
SMILESCO/C(=C/C(F)(F)F)c1cccs1
InChIInChI=1S/C8H7F3OS/c1-12-6(5-8(9,10)11)7-3-2-4-13-7/h2-5H,1H3/b6-5+
InChIKeySADDRHNGMAQAFK-AATRIKPKSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,1,1-trichloro-4-methoxy-4-thiophen-2-ylbut-3-en-2-one
CID 12007120
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
methyl 2-oxo-2-thiophen-2-ylacetate
CID 11217486
N-[(E)-2,2,2-trifluoroethylideneamino]thiophene-2-carboxamide
CID 177392116
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
methyl (E)-4-oxo-4-thiophen-2-ylbut-2-enoate
CID 12533385
(Z)-4,4,4-trifluoro-3-thiophen-2-ylbut-2-enenitrile
CID 11820181
carbon monoxide;[methoxy(thiophen-2-yl)methylidene]molybdenum
CID 135076435
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
methyl (2E)-2-[(2-methylpropan-2-yl)oxyimino]-2-thiophen-2-ylacetate
CID 22628599
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
2-amino-3,3,3-trifluoro-2-methyl-1-thiophen-2-ylpropan-1-one
CID 116593132

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene?
The IUPAC name of 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene (CID 10679856) is 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene.
What is the SMILES notation for 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene?
The canonical SMILES for 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene is CO/C(=C/C(F)(F)F)c1cccs1.
What is the InChIKey of 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene?
The InChIKey is SADDRHNGMAQAFK-AATRIKPKSA-N. The full InChI is InChI=1S/C8H7F3OS/c1-12-6(5-8(9,10)11)7-3-2-4-13-7/h2-5H,1H3/b6-5+.
What are the key properties of 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene?
2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene has a molecular weight of 208.20 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3,3,3-trifluoro-1-methoxyprop-1-enyl]thiophene is sourced from PubChem (CID 10679856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).