2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid

C11H10FNO2S — CID 135381438

IUPAC2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1ccc2sccc2c1F
InChIInChI=1S/C11H10FNO2S/c12-10-7(3-5-13-11(14)15)1-2-9-8(10)4-6-16-9/h1-2,4,6,13H,3,5H2,(H,14,15)
InChIKeyAVHDTLWRJGWBLR-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.85
Rot. Bonds3

About 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid

2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid (PubChem CID 135381438) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid
PubChem CID135381438
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1ccc2sccc2c1F
InChIInChI=1S/C11H10FNO2S/c12-10-7(3-5-13-11(14)15)1-2-9-8(10)4-6-16-9/h1-2,4,6,13H,3,5H2,(H,14,15)
InChIKeyAVHDTLWRJGWBLR-UHFFFAOYSA-N
XLogP2.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

S22153
CID 9816339
N-(2-(5-fluorobenzo[b]thiophen-3-yl)ethyl)acetamide
CID 53231465
1-[2-(5-Ethyl-1-benzothiophen-3-yl)ethyl]-3-methylurea
CID 21469690
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]propanamide
CID 21469691
1-[2-(5-Ethyl-1-benzothiophen-3-yl)ethyl]-3-propylurea
CID 21469693
N-methyl-2-(5-methyl-1-benzothien-3-yl)ethanamine
CID 31579
Urea, (2-(benzo(b)thien-3-yl)ethyl)-
CID 212003
N-[2-(5-ethyl-1-benzothiophen-3-yl)ethyl]-2,2,2-trifluoroacetamide
CID 21469694
Ethyl 2-(5-fluorobenzo[b]thiophen-2-yl)ethylcarbamate
CID 66803935
2-(4-Fluoro-1-benzothiophen-5-yl)ethanamine
CID 82374652
[2-(5-Fluoro-benzo[b]thiophen-3-yl)-ethyl]-carbamic acid ethyl ester
CID 89964025
[(2-Fluorophenyl)-thiophen-2-ylmethyl]carbamic acid
CID 90860633

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid?
The IUPAC name of 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid (CID 135381438) is 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid?
The canonical SMILES for 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid is O=C(O)NCCc1ccc2sccc2c1F.
What is the InChIKey of 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid?
The InChIKey is AVHDTLWRJGWBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c12-10-7(3-5-13-11(14)15)1-2-9-8(10)4-6-16-9/h1-2,4,6,13H,3,5H2,(H,14,15).
What are the key properties of 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid?
2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid has a molecular weight of 239.27 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1-benzothiophen-5-yl)ethylcarbamic acid is sourced from PubChem (CID 135381438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).