1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile

C6H8F2N2 — CID 170918509

IUPAC1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile
SMILESN#CC1(CN)CC(F)(F)C1
InChIInChI=1S/C6H8F2N2/c7-6(8)1-5(2-6,3-9)4-10/h1-3,9H2
InChIKeyLURLHOSZRSDVMB-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.88
Rot. Bonds1

About 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile

1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile (PubChem CID 170918509) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile
PubChem CID170918509
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile
SMILESN#CC1(CN)CC(F)(F)C1
InChIInChI=1S/C6H8F2N2/c7-6(8)1-5(2-6,3-9)4-10/h1-3,9H2
InChIKeyLURLHOSZRSDVMB-UHFFFAOYSA-N
XLogP0.88
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile 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 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile?
The IUPAC name of 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile (CID 170918509) is 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile?
The canonical SMILES for 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile is N#CC1(CN)CC(F)(F)C1.
What is the InChIKey of 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile?
The InChIKey is LURLHOSZRSDVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-6(8)1-5(2-6,3-9)4-10/h1-3,9H2.
What are the key properties of 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile?
1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile has a molecular weight of 146.14 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile is sourced from PubChem (CID 170918509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).