2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile

C14H10FNOS — CID 79802733

IUPAC2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile
SMILESCc1cscc1C(=O)C(C#N)c1cccc(F)c1
InChIInChI=1S/C14H10FNOS/c1-9-7-18-8-13(9)14(17)12(6-16)10-3-2-4-11(15)5-10/h2-5,7-8,12H,1H3
InChIKeyUJDHPOSLAMLISV-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.69
Rot. Bonds3

About 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile

2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile (PubChem CID 79802733) has the molecular formula C14H10FNOS and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile
PubChem CID79802733
Molecular FormulaC14H10FNOS
Molecular Weight259.31 g/mol
Exact Mass259.05
IUPAC Name2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile
SMILESCc1cscc1C(=O)C(C#N)c1cccc(F)c1
InChIInChI=1S/C14H10FNOS/c1-9-7-18-8-13(9)14(17)12(6-16)10-3-2-4-11(15)5-10/h2-5,7-8,12H,1H3
InChIKeyUJDHPOSLAMLISV-UHFFFAOYSA-N
XLogP3.69
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dimethylphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43334555
3-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 65308161
3-(2,5-dichlorothiophen-3-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 107962461
3-(2-chloro-3-fluorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 81453719
3-(2,3-dichlorophenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43334550
2-(2,6-dichlorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile
CID 79803289
3-(3-chlorothiophen-2-yl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 80644228
2-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-oxopropanenitrile
CID 61496396
3-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43157101
3-(2-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 107982684
2-(3-fluorophenyl)-3-oxohexanenitrile
CID 43157077
3-(4-chloro-2,5-difluorophenyl)-2-(3-methylphenyl)-3-oxopropanenitrile
CID 82773124

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile (CID 79802733) is 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile is Cc1cscc1C(=O)C(C#N)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile?
The InChIKey is UJDHPOSLAMLISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FNOS/c1-9-7-18-8-13(9)14(17)12(6-16)10-3-2-4-11(15)5-10/h2-5,7-8,12H,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile?
2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile has a molecular weight of 259.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-(4-methylthiophen-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 79802733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).