1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine

C5H8F5N — CID 11964067

IUPAC1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)C(CC(F)(F)F)(F)F
InChIInChI=1S/C5H8F5N/c1-11(2)5(9,10)3-4(6,7)8/h3H2,1-2H3
InChIKeyGWERVEKWRRDIHT-UHFFFAOYSA-N
MW177.12 g/mol
LogP2.50
Rot. Bonds2

About 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine

1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine (PubChem CID 11964067) has the molecular formula C5H8F5N and a molecular weight of 177.12 g/mol. Its IUPAC name is 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
PubChem CID11964067
Molecular FormulaC5H8F5N
Molecular Weight177.12 g/mol
Exact Mass177.06
IUPAC Name1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine
SMILESCN(C)C(CC(F)(F)F)(F)F
InChIInChI=1S/C5H8F5N/c1-11(2)5(9,10)3-4(6,7)8/h3H2,1-2H3
InChIKeyGWERVEKWRRDIHT-UHFFFAOYSA-N
XLogP2.50
TPSA3.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity127

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-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 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine?
The IUPAC name of 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine (CID 11964067) is 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine?
The canonical SMILES for 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine is CN(C)C(CC(F)(F)F)(F)F.
What is the InChIKey of 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine?
The InChIKey is GWERVEKWRRDIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F5N/c1-11(2)5(9,10)3-4(6,7)8/h3H2,1-2H3.
What are the key properties of 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine?
1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine has a molecular weight of 177.12 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3,3-pentafluoro-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 11964067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).