2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile

C11H13FN2O — CID 62535308

IUPAC2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile
SMILESCOCC(C)(C#N)Nc1cccc(F)c1
InChIInChI=1S/C11H13FN2O/c1-11(7-13,8-15-2)14-10-5-3-4-9(12)6-10/h3-6,14H,8H2,1-2H3
InChIKeySYQBSQBLIJXCIW-UHFFFAOYSA-N
MW208.24 g/mol
LogP2.17
Rot. Bonds4

About 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile

2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile (PubChem CID 62535308) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile
PubChem CID62535308
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile
SMILESCOCC(C)(C#N)Nc1cccc(F)c1
InChIInChI=1S/C11H13FN2O/c1-11(7-13,8-15-2)14-10-5-3-4-9(12)6-10/h3-6,14H,8H2,1-2H3
InChIKeySYQBSQBLIJXCIW-UHFFFAOYSA-N
XLogP2.17
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-2-methylpentanenitrile
CID 60990230
5-(3-fluoroanilino)-2,2-dimethylpentanenitrile
CID 65256904
2-(3-bromoanilino)-3-(4-fluorophenyl)-2-methylpropanenitrile
CID 114831825
2-(3-fluoroanilino)-4-methoxy-3-methylbutanenitrile
CID 116501909
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
N-(2-cyano-1-methoxypropan-2-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 86781173
2-(3-fluoroanilino)-4,4-dimethylpentanenitrile
CID 62952128
2-(3-fluoroanilino)-4-methoxy-2,4-dimethylpentanamide
CID 54892277
2-(benzylamino)-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831847
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
N-(3-fluorophenyl)-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 55089867
3-methoxy-2-methyl-2-N-(3-methylphenyl)propane-1,2-diamine
CID 65376955

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile?
The IUPAC name of 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile (CID 62535308) is 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile.
What is the SMILES notation for 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile?
The canonical SMILES for 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile is COCC(C)(C#N)Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile?
The InChIKey is SYQBSQBLIJXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-11(7-13,8-15-2)14-10-5-3-4-9(12)6-10/h3-6,14H,8H2,1-2H3.
What are the key properties of 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile?
2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile has a molecular weight of 208.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile is sourced from PubChem (CID 62535308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).