N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine

C12H22F5NO — CID 83044775

IUPACN-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F5NO/c1-5-6-9(7-18-10(2,3)4)19-8-11(13,14)12(15,16)17/h9,18H,5-8H2,1-4H3
InChIKeyCMGYEJHYTWHYIA-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.76
Rot. Bonds7

About N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine

N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine (PubChem CID 83044775) has the molecular formula C12H22F5NO and a molecular weight of 291.30 g/mol. Its IUPAC name is N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine
PubChem CID83044775
Molecular FormulaC12H22F5NO
Molecular Weight291.30 g/mol
Exact Mass291.16
IUPAC NameN-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine
SMILESCCCC(CNC(C)(C)C)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H22F5NO/c1-5-6-9(7-18-10(2,3)4)19-8-11(13,14)12(15,16)17/h9,18H,5-8H2,1-4H3
InChIKeyCMGYEJHYTWHYIA-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-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 N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine (CID 83044775) is N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine is CCCC(CNC(C)(C)C)OCC(F)(F)C(F)(F)F.
What is the InChIKey of N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine?
The InChIKey is CMGYEJHYTWHYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F5NO/c1-5-6-9(7-18-10(2,3)4)19-8-11(13,14)12(15,16)17/h9,18H,5-8H2,1-4H3.
What are the key properties of N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine?
N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine has a molecular weight of 291.30 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-amine is sourced from PubChem (CID 83044775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).