2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile

C11H10FNO2S — CID 102570626

IUPAC2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile
SMILESCS(=O)(=O)C1C(C#N)C1c1cccc(F)c1
InChIInChI=1S/C11H10FNO2S/c1-16(14,15)11-9(6-13)10(11)7-3-2-4-8(12)5-7/h2-5,9-11H,1H3
InChIKeyUWPSSAYKFRLEKF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.48
Rot. Bonds2

About 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile

2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile (PubChem CID 102570626) has the molecular formula C11H10FNO2S and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile
PubChem CID102570626
Molecular FormulaC11H10FNO2S
Molecular Weight239.27 g/mol
Exact Mass239.04
IUPAC Name2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile
SMILESCS(=O)(=O)C1C(C#N)C1c1cccc(F)c1
InChIInChI=1S/C11H10FNO2S/c1-16(14,15)11-9(6-13)10(11)7-3-2-4-8(12)5-7/h2-5,9-11H,1H3
InChIKeyUWPSSAYKFRLEKF-UHFFFAOYSA-N
XLogP1.48
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile?
The IUPAC name of 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile (CID 102570626) is 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile?
The canonical SMILES for 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile is CS(=O)(=O)C1C(C#N)C1c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile?
The InChIKey is UWPSSAYKFRLEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2S/c1-16(14,15)11-9(6-13)10(11)7-3-2-4-8(12)5-7/h2-5,9-11H,1H3.
What are the key properties of 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile?
2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile has a molecular weight of 239.27 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-methylsulfonylcyclopropane-1-carbonitrile is sourced from PubChem (CID 102570626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).