3-fluoro-2-prop-1-en-2-yl-1-benzothiophene

C11H9FS — CID 143520317

IUPAC3-fluoro-2-prop-1-en-2-yl-1-benzothiophene
SMILESC=C(C)c1sc2ccccc2c1F
InChIInChI=1S/C11H9FS/c1-7(2)11-10(12)8-5-3-4-6-9(8)13-11/h3-6H,1H2,2H3
InChIKeyNKBXFJDRAXUBDP-UHFFFAOYSA-N
MW192.26 g/mol
LogP4.07
Rot. Bonds1

About 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene

3-fluoro-2-prop-1-en-2-yl-1-benzothiophene (PubChem CID 143520317) has the molecular formula C11H9FS and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene.

Molecular Properties

Compound Name3-fluoro-2-prop-1-en-2-yl-1-benzothiophene
PubChem CID143520317
Molecular FormulaC11H9FS
Molecular Weight192.26 g/mol
Exact Mass192.04
IUPAC Name3-fluoro-2-prop-1-en-2-yl-1-benzothiophene
SMILESC=C(C)c1sc2ccccc2c1F
InChIInChI=1S/C11H9FS/c1-7(2)11-10(12)8-5-3-4-6-9(8)13-11/h3-6H,1H2,2H3
InChIKeyNKBXFJDRAXUBDP-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-(4-methylpenta-1,4-dien-2-yl)-1-benzothiophene
CID 174313018
(3-fluoro-1-benzothiophen-2-yl) hydrogen carbonate
CID 69364733
1-(3-chloro-1-benzothiophen-2-yl)-N-methyl-1-(4-prop-1-en-2-ylphenyl)methanimine
CID 144968991
1-(3-amino-1-benzothiophen-2-yl)ethanone
CID 3434239
bis(dibenzothiophene);ethane
CID 143921746
1-(3-chloro-1-benzothiophen-2-yl)ethanone;ethane
CID 142134856
2-methylprop-2-enoic acid;thioxanthen-9-one
CID 174860771
dibenzothiophene;formaldehyde
CID 20556925
methyl 3-ethenyl-1-benzothiophene-2-carboxylate
CID 163628289
dibenzothiophene;methane
CID 162233710
4-(4-prop-1-en-2-ylphenyl)dibenzothiophene
CID 142405934
dibenzothiophene;ethane;molecular hydrogen
CID 145320534

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene?
The IUPAC name of 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene (CID 143520317) is 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene.
What is the SMILES notation for 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene?
The canonical SMILES for 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene is C=C(C)c1sc2ccccc2c1F.
What is the InChIKey of 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene?
The InChIKey is NKBXFJDRAXUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FS/c1-7(2)11-10(12)8-5-3-4-6-9(8)13-11/h3-6H,1H2,2H3.
What are the key properties of 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene?
3-fluoro-2-prop-1-en-2-yl-1-benzothiophene has a molecular weight of 192.26 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-prop-1-en-2-yl-1-benzothiophene is sourced from PubChem (CID 143520317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).