N-(2,2-difluoroethyl)-2-methylpropan-2-amine

C6H13F2N — CID 59439105

IUPACN-(2,2-difluoroethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)F
InChIInChI=1S/C6H13F2N/c1-6(2,3)9-4-5(7)8/h5,9H,4H2,1-3H3
InChIKeyLXIMSWXWVXXVKL-UHFFFAOYSA-N
MW137.17 g/mol
LogP1.64
Rot. Bonds2

About N-(2,2-difluoroethyl)-2-methylpropan-2-amine

N-(2,2-difluoroethyl)-2-methylpropan-2-amine (PubChem CID 59439105) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-2-methylpropan-2-amine
PubChem CID59439105
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC NameN-(2,2-difluoroethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCC(F)F
InChIInChI=1S/C6H13F2N/c1-6(2,3)9-4-5(7)8/h5,9H,4H2,1-3H3
InChIKeyLXIMSWXWVXXVKL-UHFFFAOYSA-N
XLogP1.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2-difluoroethyl)-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-(2,2-difluoroethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-2-methylpropan-2-amine (CID 59439105) is N-(2,2-difluoroethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-2-methylpropan-2-amine is CC(C)(C)NCC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-2-methylpropan-2-amine?
The InChIKey is LXIMSWXWVXXVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N/c1-6(2,3)9-4-5(7)8/h5,9H,4H2,1-3H3.
What are the key properties of N-(2,2-difluoroethyl)-2-methylpropan-2-amine?
N-(2,2-difluoroethyl)-2-methylpropan-2-amine has a molecular weight of 137.17 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 59439105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).