N,2-difluoro-N-propan-2-ylpropan-1-amine

C6H13F2N — CID 171774217

IUPACN,2-difluoro-N-propan-2-ylpropan-1-amine
SMILESCC(F)CN(F)C(C)C
InChIInChI=1S/C6H13F2N/c1-5(2)9(8)4-6(3)7/h5-6H,4H2,1-3H3
InChIKeyYXPMDANSXOXGPG-UHFFFAOYSA-N
MW137.17 g/mol
LogP1.94
Rot. Bonds3

About N,2-difluoro-N-propan-2-ylpropan-1-amine

N,2-difluoro-N-propan-2-ylpropan-1-amine (PubChem CID 171774217) has the molecular formula C6H13F2N and a molecular weight of 137.17 g/mol. Its IUPAC name is N,2-difluoro-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound NameN,2-difluoro-N-propan-2-ylpropan-1-amine
PubChem CID171774217
Molecular FormulaC6H13F2N
Molecular Weight137.17 g/mol
Exact Mass137.10
IUPAC NameN,2-difluoro-N-propan-2-ylpropan-1-amine
SMILESCC(F)CN(F)C(C)C
InChIInChI=1S/C6H13F2N/c1-5(2)9(8)4-6(3)7/h5-6H,4H2,1-3H3
InChIKeyYXPMDANSXOXGPG-UHFFFAOYSA-N
XLogP1.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.17
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N,2-difluoro-N-propan-2-ylpropan-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

Related Compounds

N-ethyl-N-fluoropropan-2-amine
CID 146312681
N-(2-fluoropropyl)-N-methylmethanesulfonamide
CID 142548580
1-[2-fluoropropyl(propan-2-yl)amino]propan-2-ol
CID 142605700
N-(2-fluoropropyl)-N,2-dimethylpropan-1-amine
CID 177032219
2-fluoro-N-(iodomethyl)-N-methylpropan-1-amine
CID 170275915
ethane;N'-(2-fluoropropyl)-N'-methylmethanediamine
CID 144977225
CID 72640013
CID 72640013
(2R)-2-(18F)fluoro-6-methylheptane
CID 153412043
2-fluoro-1-(2-fluoropropylsulfonyl)propane
CID 87624365
1,1-difluoroethane
CID 6368
1-fluoro-N,N,N',N'-tetra(propan-2-yl)methanediamine
CID 139882033
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569

Frequently Asked Questions

What is the IUPAC name of N,2-difluoro-N-propan-2-ylpropan-1-amine?
The IUPAC name of N,2-difluoro-N-propan-2-ylpropan-1-amine (CID 171774217) is N,2-difluoro-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for N,2-difluoro-N-propan-2-ylpropan-1-amine?
The canonical SMILES for N,2-difluoro-N-propan-2-ylpropan-1-amine is CC(F)CN(F)C(C)C.
What is the InChIKey of N,2-difluoro-N-propan-2-ylpropan-1-amine?
The InChIKey is YXPMDANSXOXGPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2N/c1-5(2)9(8)4-6(3)7/h5-6H,4H2,1-3H3.
What are the key properties of N,2-difluoro-N-propan-2-ylpropan-1-amine?
N,2-difluoro-N-propan-2-ylpropan-1-amine has a molecular weight of 137.17 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-difluoro-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 171774217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).