2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene

C16H15F3OS — CID 91123377

IUPAC2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCOC(C)=Cc1sc(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C16H15F3OS/c1-10-8-15(21-14(10)9-11(2)20-3)12-4-6-13(7-5-12)16(17,18)19/h4-9H,1-3H3
InChIKeyMZZWDZPEBAUDFU-UHFFFAOYSA-N
MW312.36 g/mol
LogP5.75
Rot. Bonds3

About 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene

2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene (PubChem CID 91123377) has the molecular formula C16H15F3OS and a molecular weight of 312.36 g/mol. Its IUPAC name is 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene.

Molecular Properties

Compound Name2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene
PubChem CID91123377
Molecular FormulaC16H15F3OS
Molecular Weight312.36 g/mol
Exact Mass312.08
IUPAC Name2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene
SMILESCOC(C)=Cc1sc(-c2ccc(C(F)(F)F)cc2)cc1C
InChIInChI=1S/C16H15F3OS/c1-10-8-15(21-14(10)9-11(2)20-3)12-4-6-13(7-5-12)16(17,18)19/h4-9H,1-3H3
InChIKeyMZZWDZPEBAUDFU-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.36
LogP ≤ 55.75
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The IUPAC name of 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene (CID 91123377) is 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene.
What is the SMILES notation for 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The canonical SMILES for 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene is COC(C)=Cc1sc(-c2ccc(C(F)(F)F)cc2)cc1C.
What is the InChIKey of 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene?
The InChIKey is MZZWDZPEBAUDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3OS/c1-10-8-15(21-14(10)9-11(2)20-3)12-4-6-13(7-5-12)16(17,18)19/h4-9H,1-3H3.
What are the key properties of 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene?
2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene has a molecular weight of 312.36 g/mol, XLogP of 5.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyprop-1-enyl)-3-methyl-5-[4-(trifluoromethyl)phenyl]thiophene is sourced from PubChem (CID 91123377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).