3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine

C8H15F2N — CID 131203341

IUPAC3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(C(F)F)C1
InChIInChI=1S/C8H15F2N/c1-5(2)11-7-3-6(4-7)8(9)10/h5-8,11H,3-4H2,1-2H3
InChIKeyNHZAOVWLJJZJMF-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds3

About 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine

3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine (PubChem CID 131203341) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine
PubChem CID131203341
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine
SMILESCC(C)NC1CC(C(F)F)C1
InChIInChI=1S/C8H15F2N/c1-5(2)11-7-3-6(4-7)8(9)10/h5-8,11H,3-4H2,1-2H3
InChIKeyNHZAOVWLJJZJMF-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine 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 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine?
The IUPAC name of 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine (CID 131203341) is 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine.
What is the SMILES notation for 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine?
The canonical SMILES for 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine is CC(C)NC1CC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine?
The InChIKey is NHZAOVWLJJZJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-5(2)11-7-3-6(4-7)8(9)10/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine?
3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-propan-2-ylcyclobutan-1-amine is sourced from PubChem (CID 131203341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).