3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine

C11H12FNS — CID 117120043

IUPAC3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
SMILESNCCCc1cc2c(F)cccc2s1
InChIInChI=1S/C11H12FNS/c12-10-4-1-5-11-9(10)7-8(14-11)3-2-6-13/h1,4-5,7H,2-3,6,13H2
InChIKeyUFFDYVSZDWLLIB-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.93
Rot. Bonds3

About 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine

3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine (PubChem CID 117120043) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
PubChem CID117120043
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine
SMILESNCCCc1cc2c(F)cccc2s1
InChIInChI=1S/C11H12FNS/c12-10-4-1-5-11-9(10)7-8(14-11)3-2-6-13/h1,4-5,7H,2-3,6,13H2
InChIKeyUFFDYVSZDWLLIB-UHFFFAOYSA-N
XLogP2.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol
CID 117120021
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-one
CID 117194420
3-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 170868168
1-[(4-fluoro-1-benzothiophen-2-yl)methyl]piperidine
CID 117172774
2-(2-chloroethyl)-1-benzothiophen-4-amine
CID 175376475
3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine
CID 82625601
3-(5-methyl-1-benzothiophen-2-yl)propan-1-amine
CID 82610165
(4-fluoro-1-benzothiophen-2-yl)methyl-propan-2-yloxyphosphinous acid
CID 71160070
3-[7-(trifluoromethyl)-1-benzothiophen-2-yl]propan-1-amine
CID 117196527
2-(fluoromethyl)-1-benzothiophen-4-ol
CID 84658438
3-(5-fluoroisoquinolin-1-yl)propan-1-amine
CID 82576520
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine?
The IUPAC name of 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine (CID 117120043) is 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine.
What is the SMILES notation for 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine?
The canonical SMILES for 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine is NCCCc1cc2c(F)cccc2s1.
What is the InChIKey of 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine?
The InChIKey is UFFDYVSZDWLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c12-10-4-1-5-11-9(10)7-8(14-11)3-2-6-13/h1,4-5,7H,2-3,6,13H2.
What are the key properties of 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine?
3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-benzothiophen-2-yl)propan-1-amine is sourced from PubChem (CID 117120043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).