N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine

C12H23F2NO — CID 103274351

IUPACN-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC1(OCC(F)F)CCC1
InChIInChI=1S/C12H23F2NO/c1-11(2,3)15-8-7-12(5-4-6-12)16-9-10(13)14/h10,15H,4-9H2,1-3H3
InChIKeyIPYWICHMOWQXGI-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.97
Rot. Bonds6

About N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine

N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine (PubChem CID 103274351) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
PubChem CID103274351
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC NameN-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCCC1(OCC(F)F)CCC1
InChIInChI=1S/C12H23F2NO/c1-11(2,3)15-8-7-12(5-4-6-12)16-9-10(13)14/h10,15H,4-9H2,1-3H3
InChIKeyIPYWICHMOWQXGI-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-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 N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The IUPAC name of N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine (CID 103274351) is N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine is CC(C)(C)NCCC1(OCC(F)F)CCC1.
What is the InChIKey of N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
The InChIKey is IPYWICHMOWQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-11(2,3)15-8-7-12(5-4-6-12)16-9-10(13)14/h10,15H,4-9H2,1-3H3.
What are the key properties of N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine?
N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine has a molecular weight of 235.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine is sourced from PubChem (CID 103274351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).