3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile

C7H11FN2 — CID 171036111

IUPAC3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile
SMILESCC1(C#N)CC(F)(CN)C1
InChIInChI=1S/C7H11FN2/c1-6(4-9)2-7(8,3-6)5-10/h2-3,5,10H2,1H3
InChIKeyOAZZSDKQQJVERB-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.98
Rot. Bonds1

About 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile

3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile (PubChem CID 171036111) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile
PubChem CID171036111
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile
SMILESCC1(C#N)CC(F)(CN)C1
InChIInChI=1S/C7H11FN2/c1-6(4-9)2-7(8,3-6)5-10/h2-3,5,10H2,1H3
InChIKeyOAZZSDKQQJVERB-UHFFFAOYSA-N
XLogP0.98
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile?
The IUPAC name of 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile (CID 171036111) is 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile?
The canonical SMILES for 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile is CC1(C#N)CC(F)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile?
The InChIKey is OAZZSDKQQJVERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-6(4-9)2-7(8,3-6)5-10/h2-3,5,10H2,1H3.
What are the key properties of 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile?
3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile has a molecular weight of 142.18 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-3-fluoro-1-methylcyclobutane-1-carbonitrile is sourced from PubChem (CID 171036111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).