2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile

C16H10FNS — CID 142725184

IUPAC2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile
SMILESN#CCc1cc2c(-c3ccc(F)cc3)cccc2s1
InChIInChI=1S/C16H10FNS/c17-12-6-4-11(5-7-12)14-2-1-3-16-15(14)10-13(19-16)8-9-18/h1-7,10H,8H2
InChIKeyMSKXQJLEGBISCN-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.77
Rot. Bonds2

About 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile

2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile (PubChem CID 142725184) has the molecular formula C16H10FNS and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile
PubChem CID142725184
Molecular FormulaC16H10FNS
Molecular Weight267.33 g/mol
Exact Mass267.05
IUPAC Name2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile
SMILESN#CCc1cc2c(-c3ccc(F)cc3)cccc2s1
InChIInChI=1S/C16H10FNS/c17-12-6-4-11(5-7-12)14-2-1-3-16-15(14)10-13(19-16)8-9-18/h1-7,10H,8H2
InChIKeyMSKXQJLEGBISCN-UHFFFAOYSA-N
XLogP4.77
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)dibenzothiophene
CID 21111722
4-(4-fluorophenyl)-N-(3-hydroxypropyl)-N-methyl-1-benzothiophene-2-carboxamide
CID 142725170
2-(4-iodo-5-methyl-1-benzothiophen-2-yl)acetonitrile
CID 130857335
4-[4-[7-[4-(4-fluorophenyl)phenyl]naphthalen-2-yl]phenyl]dibenzothiophene
CID 169294012
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 129160685
4-(4-fluorophenyl)-N-methyl-N-(2-piperidin-1-ylethyl)-1-benzothiophene-2-carboxamide
CID 142725182
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
N-[4-[8-(4-fluorophenyl)naphthalen-1-yl]phenyl]-N-(8-phenylnaphthalen-2-yl)dibenzothiophen-3-amine
CID 171763453
(4-bromo-1-benzothiophen-2-yl)methanol
CID 13466536
1-(4-fluoro-1-benzothiophen-2-yl)propan-2-ol
CID 117120021
2-(6-fluoro-5-methyl-1-benzothiophen-2-yl)acetonitrile
CID 131030952
2-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile?
The IUPAC name of 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile (CID 142725184) is 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile is N#CCc1cc2c(-c3ccc(F)cc3)cccc2s1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile?
The InChIKey is MSKXQJLEGBISCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNS/c17-12-6-4-11(5-7-12)14-2-1-3-16-15(14)10-13(19-16)8-9-18/h1-7,10H,8H2.
What are the key properties of 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile?
2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile has a molecular weight of 267.33 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile is sourced from PubChem (CID 142725184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).