1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene

C17H20BrF3S — CID 140581827

IUPAC1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene
SMILESCCc1ccc2c(c1)C=C(C1CCCCC1)S2(Br)C(F)(F)F
InChIInChI=1S/C17H20BrF3S/c1-2-12-8-9-15-14(10-12)11-16(13-6-4-3-5-7-13)22(15,18)17(19,20)21/h8-11,13H,2-7H2,1H3
InChIKeySFIMRQBTRHNJDX-UHFFFAOYSA-N
MW393.31 g/mol
LogP7.18
Rot. Bonds2

About 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene

1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene (PubChem CID 140581827) has the molecular formula C17H20BrF3S and a molecular weight of 393.31 g/mol. Its IUPAC name is 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene
PubChem CID140581827
Molecular FormulaC17H20BrF3S
Molecular Weight393.31 g/mol
Exact Mass392.04
IUPAC Name1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene
SMILESCCc1ccc2c(c1)C=C(C1CCCCC1)S2(Br)C(F)(F)F
InChIInChI=1S/C17H20BrF3S/c1-2-12-8-9-15-14(10-12)11-16(13-6-4-3-5-7-13)22(15,18)17(19,20)21/h8-11,13H,2-7H2,1H3
InChIKeySFIMRQBTRHNJDX-UHFFFAOYSA-N
XLogP7.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.31
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-2-cyclopropyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581680
1-bromo-2-cyclopropyl-6-ethyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581732
1-bromo-2-cyclobutyl-5-methyl-1-(trifluoromethyl)-1-benzothiophene
CID 140582046
1-bromo-2-cyclopentyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581663
1-bromo-2-cycloheptyl-6-propan-2-yl-1-(trifluoromethyl)-1-benzothiophene
CID 140581898
[2-cyclohexyl-6-ethyl-1-(trifluoromethyl)-1-benzothiophen-1-yl] trifluoromethanesulfonate
CID 140581667
1-cyclohexyl-4-ethyl-2-(trifluoromethyl)benzene
CID 126723002
1-chloro-2-cyclopropyl-6-propyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581910
1-bromo-2,5-dimethyl-1-(trifluoromethyl)-1-benzothiophene
CID 140581809
2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophen-1-ium bromide
CID 87942812
cyclohexylbenzene;1,4-diethylbenzene
CID 174429743
[6-chloro-2-cycloheptyl-1-(trifluoromethyl)-1-benzothiophen-1-yl] trifluoromethanesulfonate
CID 140581754

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene?
The IUPAC name of 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene (CID 140581827) is 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene.
What is the SMILES notation for 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene?
The canonical SMILES for 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene is CCc1ccc2c(c1)C=C(C1CCCCC1)S2(Br)C(F)(F)F.
What is the InChIKey of 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene?
The InChIKey is SFIMRQBTRHNJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrF3S/c1-2-12-8-9-15-14(10-12)11-16(13-6-4-3-5-7-13)22(15,18)17(19,20)21/h8-11,13H,2-7H2,1H3.
What are the key properties of 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene?
1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene has a molecular weight of 393.31 g/mol, XLogP of 7.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-cyclohexyl-5-ethyl-1-(trifluoromethyl)-1-benzothiophene is sourced from PubChem (CID 140581827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).