2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid

C11H10FNO2 — CID 75532046

IUPAC2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid
SMILESCC(C#N)(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C11H10FNO2/c1-11(7-13,10(14)15)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,15)
InChIKeyWFUABMCQKXFVSY-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.98
Rot. Bonds3

About 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid

2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid (PubChem CID 75532046) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid
PubChem CID75532046
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid
SMILESCC(C#N)(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C11H10FNO2/c1-11(7-13,10(14)15)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,15)
InChIKeyWFUABMCQKXFVSY-UHFFFAOYSA-N
XLogP1.98
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyano-3-(2-fluorophenyl)-2-methylpropanoate
CID 75366565
2-[(2-fluorophenyl)methyl]-3-oxo-2-phenylbutanenitrile
CID 66431752
3-(2-fluorophenyl)-2-methyl-2-(methylamino)propanenitrile
CID 114831782
2-[(5-chloro-2-fluorophenyl)methyl]-2-methyl-3-oxobutanenitrile
CID 103051012
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
3-(2-fluorophenyl)-2-methyl-2-(propylamino)propanenitrile
CID 114831787
2-(azepan-1-yl)-3-(2-fluorophenyl)-2-methylpropanenitrile
CID 84751667
3-(2-fluorophenyl)-2-(2-methoxyethylamino)-2-methylpropanoic acid
CID 114832173
3-(2-fluorophenyl)-2-methyl-2-(4-methylpiperazin-1-yl)propanenitrile
CID 82090543
1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol
CID 114832660

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid?
The IUPAC name of 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid (CID 75532046) is 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid.
What is the SMILES notation for 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid?
The canonical SMILES for 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid is CC(C#N)(Cc1ccccc1F)C(=O)O.
What is the InChIKey of 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid?
The InChIKey is WFUABMCQKXFVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-11(7-13,10(14)15)6-8-4-2-3-5-9(8)12/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid?
2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid has a molecular weight of 207.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(2-fluorophenyl)-2-methylpropanoic acid is sourced from PubChem (CID 75532046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).