3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine

C6H9F6N — CID 26941379

IUPAC3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESFC(F)(F)CCNCCC(F)(F)F
InChIInChI=1S/C6H9F6N/c7-5(8,9)1-3-13-4-2-6(10,11)12/h13H,1-4H2
InChIKeyBCJXLCSPWYKZAE-UHFFFAOYSA-N
MW209.13 g/mol
LogP2.48
Rot. Bonds4

About 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine

3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine (PubChem CID 26941379) has the molecular formula C6H9F6N and a molecular weight of 209.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine
PubChem CID26941379
Molecular FormulaC6H9F6N
Molecular Weight209.13 g/mol
Exact Mass209.06
IUPAC Name3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine
SMILESFC(F)(F)CCNCCC(F)(F)F
InChIInChI=1S/C6H9F6N/c7-5(8,9)1-3-13-4-2-6(10,11)12/h13H,1-4H2
InChIKeyBCJXLCSPWYKZAE-UHFFFAOYSA-N
XLogP2.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-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 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine (CID 26941379) is 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine is FC(F)(F)CCNCCC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine?
The InChIKey is BCJXLCSPWYKZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6N/c7-5(8,9)1-3-13-4-2-6(10,11)12/h13H,1-4H2.
What are the key properties of 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine?
3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine has a molecular weight of 209.13 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(3,3,3-trifluoropropyl)propan-1-amine is sourced from PubChem (CID 26941379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).