5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene

C14H17FS — CID 58128812

IUPAC5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1sc2ccc(F)cc2c1C(C)C
InChIInChI=1S/C14H17FS/c1-8(2)13-11-7-10(15)5-6-12(11)16-14(13)9(3)4/h5-9H,1-4H3
InChIKeyRHVFPNAOLCHUTK-UHFFFAOYSA-N
MW236.35 g/mol
LogP5.29
Rot. Bonds2

About 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene

5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene (PubChem CID 58128812) has the molecular formula C14H17FS and a molecular weight of 236.35 g/mol. Its IUPAC name is 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene
PubChem CID58128812
Molecular FormulaC14H17FS
Molecular Weight236.35 g/mol
Exact Mass236.10
IUPAC Name5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene
SMILESCC(C)c1sc2ccc(F)cc2c1C(C)C
InChIInChI=1S/C14H17FS/c1-8(2)13-11-7-10(15)5-6-12(11)16-14(13)9(3)4/h5-9H,1-4H3
InChIKeyRHVFPNAOLCHUTK-UHFFFAOYSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.35
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3,5-tri(propan-2-yl)-1-benzothiophene
CID 167395930
N-[(5-fluoro-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378033
2-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130788515
7-fluoro-1-propan-2-ylnaphthalen-2-amine
CID 115057667
6-fluoro-2-propan-2-ylthioxanthen-9-one
CID 620918
3-methyl-2-propan-2-yl-1-benzothiophen-5-ol
CID 58448893
1-(5-fluoro-1-benzothiophen-3-yl)ethanamine
CID 117120717
2-(bromomethyl)-3,5-difluoro-1-benzothiophene
CID 131223463
6-fluoro-4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
CID 54678717
N,N,3-trimethyl-2-propan-2-yl-1-benzothiophen-5-amine
CID 70798009
2-(5-fluoro-2-methyl-1-benzothiophen-3-yl)ethanamine
CID 83909343
6-fluoro-4-propan-2-ylquinolin-3-ol
CID 105457227

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene?
The IUPAC name of 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene (CID 58128812) is 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene.
What is the SMILES notation for 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene?
The canonical SMILES for 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene is CC(C)c1sc2ccc(F)cc2c1C(C)C.
What is the InChIKey of 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene?
The InChIKey is RHVFPNAOLCHUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FS/c1-8(2)13-11-7-10(15)5-6-12(11)16-14(13)9(3)4/h5-9H,1-4H3.
What are the key properties of 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene?
5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene has a molecular weight of 236.35 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-di(propan-2-yl)-1-benzothiophene is sourced from PubChem (CID 58128812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).