2-(3-fluoroanilino)-2-methylpentanenitrile

C12H15FN2 — CID 60990230

IUPAC2-(3-fluoroanilino)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)Nc1cccc(F)c1
InChIInChI=1S/C12H15FN2/c1-3-7-12(2,9-14)15-11-6-4-5-10(13)8-11/h4-6,8,15H,3,7H2,1-2H3
InChIKeyRNSVFHNZCGBIRD-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.32
Rot. Bonds4

About 2-(3-fluoroanilino)-2-methylpentanenitrile

2-(3-fluoroanilino)-2-methylpentanenitrile (PubChem CID 60990230) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-(3-fluoroanilino)-2-methylpentanenitrile
PubChem CID60990230
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC Name2-(3-fluoroanilino)-2-methylpentanenitrile
SMILESCCCC(C)(C#N)Nc1cccc(F)c1
InChIInChI=1S/C12H15FN2/c1-3-7-12(2,9-14)15-11-6-4-5-10(13)8-11/h4-6,8,15H,3,7H2,1-2H3
InChIKeyRNSVFHNZCGBIRD-UHFFFAOYSA-N
XLogP3.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-3-methoxy-2-methylpropanenitrile
CID 62535308
5-(3-fluoroanilino)-2,2-dimethylpentanenitrile
CID 65256904
2-(4-fluoroanilino)-2-methylheptanenitrile
CID 80557640
2-(4-methoxyanilino)-2-methylpentanenitrile
CID 60988166
ethyl 2-(3-fluoroanilino)-2-methylpentanoate
CID 54890603
2-(3-bromoanilino)-3-(4-fluorophenyl)-2-methylpropanenitrile
CID 114831825
2-ethyl-2-(3-fluoroanilino)butanoic acid
CID 60993028
2-(benzylamino)-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831847
2-(3-bromoanilino)-3-hydroxy-2-methylpropanenitrile
CID 130509135
2-(3-fluoroanilino)-4,4-dimethylpentanenitrile
CID 62952128
2-[2-(dimethylamino)ethylamino]-3-(3-fluorophenyl)-2-methylpropanenitrile
CID 114831859
2-ethyl-2-(3-methoxyanilino)pentanenitrile
CID 114079942

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroanilino)-2-methylpentanenitrile?
The IUPAC name of 2-(3-fluoroanilino)-2-methylpentanenitrile (CID 60990230) is 2-(3-fluoroanilino)-2-methylpentanenitrile.
What is the SMILES notation for 2-(3-fluoroanilino)-2-methylpentanenitrile?
The canonical SMILES for 2-(3-fluoroanilino)-2-methylpentanenitrile is CCCC(C)(C#N)Nc1cccc(F)c1.
What is the InChIKey of 2-(3-fluoroanilino)-2-methylpentanenitrile?
The InChIKey is RNSVFHNZCGBIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-3-7-12(2,9-14)15-11-6-4-5-10(13)8-11/h4-6,8,15H,3,7H2,1-2H3.
What are the key properties of 2-(3-fluoroanilino)-2-methylpentanenitrile?
2-(3-fluoroanilino)-2-methylpentanenitrile has a molecular weight of 206.26 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-2-methylpentanenitrile is sourced from PubChem (CID 60990230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).