2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile

C12H13FN2 — CID 115650123

IUPAC2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
SMILESCN(c1cccc(F)c1C#N)C1CCC1
InChIInChI=1S/C12H13FN2/c1-15(9-4-2-5-9)12-7-3-6-11(13)10(12)8-14/h3,6-7,9H,2,4-5H2,1H3
InChIKeyUJUOBHQRJKLKLL-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.69
Rot. Bonds2

About 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile

2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile (PubChem CID 115650123) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
PubChem CID115650123
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile
SMILESCN(c1cccc(F)c1C#N)C1CCC1
InChIInChI=1S/C12H13FN2/c1-15(9-4-2-5-9)12-7-3-6-11(13)10(12)8-14/h3,6-7,9H,2,4-5H2,1H3
InChIKeyUJUOBHQRJKLKLL-UHFFFAOYSA-N
XLogP2.69
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile?
The IUPAC name of 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile (CID 115650123) is 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile?
The canonical SMILES for 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile is CN(c1cccc(F)c1C#N)C1CCC1.
What is the InChIKey of 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile?
The InChIKey is UJUOBHQRJKLKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-15(9-4-2-5-9)12-7-3-6-11(13)10(12)8-14/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile?
2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile has a molecular weight of 204.25 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutyl(methyl)amino]-6-fluorobenzonitrile is sourced from PubChem (CID 115650123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).