2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene

C14H13F3S — CID 139493187

IUPAC2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene
SMILESCC(C)=C(C)c1cc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C14H13F3S/c1-8(2)9(3)12-6-10-4-5-11(14(15,16)17)7-13(10)18-12/h4-7H,1-3H3
InChIKeyGDFPIIOZRGMNNM-UHFFFAOYSA-N
MW270.32 g/mol
LogP5.73
Rot. Bonds1

About 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene

2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene (PubChem CID 139493187) has the molecular formula C14H13F3S and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene
PubChem CID139493187
Molecular FormulaC14H13F3S
Molecular Weight270.32 g/mol
Exact Mass270.07
IUPAC Name2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene
SMILESCC(C)=C(C)c1cc2ccc(C(F)(F)F)cc2s1
InChIInChI=1S/C14H13F3S/c1-8(2)9(3)12-6-10-4-5-11(14(15,16)17)7-13(10)18-12/h4-7H,1-3H3
InChIKeyGDFPIIOZRGMNNM-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.32
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-6-(trifluoromethyl)-1-benzothiophene
CID 20759987
2-propan-2-yl-6-(trifluoromethyl)-1-benzothiophene
CID 58431320
1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one
CID 66823529
6-[4-(trifluoromethyl)phenyl]-1-benzothiophene-2-carboxylic acid
CID 142727871
N-methyl-5-(trifluoromethyl)-1-benzothiophene-2-carboxamide
CID 90142340
3-[6-(trifluoromethyl)-1-benzothiophen-2-yl]prop-2-enoic acid
CID 68716437
N-methyl-3-[6-(trifluoromethyl)-1-benzothiophen-2-yl]propan-1-amine
CID 117195746
5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]-1H-pyrazole-3-carboxylic acid
CID 115109861
2-methyl-5-(trifluoromethyl)-1-benzothiophene
CID 58242584
1-methyl-5-[6-(trifluoromethyl)-1-benzothiophen-2-yl]pyrazol-4-amine
CID 115109543
(NZ)-N-[1-(6-chloro-1-benzothiophen-2-yl)ethylidene]hydroxylamine
CID 125476333
phenyl-[3-[[1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-yl]amino]pyrrolidin-1-yl]methanone
CID 67512212

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene?
The IUPAC name of 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene (CID 139493187) is 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene.
What is the SMILES notation for 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene?
The canonical SMILES for 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene is CC(C)=C(C)c1cc2ccc(C(F)(F)F)cc2s1.
What is the InChIKey of 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene?
The InChIKey is GDFPIIOZRGMNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3S/c1-8(2)9(3)12-6-10-4-5-11(14(15,16)17)7-13(10)18-12/h4-7H,1-3H3.
What are the key properties of 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene?
2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene has a molecular weight of 270.32 g/mol, XLogP of 5.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-en-2-yl)-6-(trifluoromethyl)-1-benzothiophene is sourced from PubChem (CID 139493187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).