N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine

C10H19F5N2 — CID 113410451

IUPACN'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H19F5N2/c1-8(2,3)17-6-4-5-16-7-9(11,12)10(13,14)15/h16-17H,4-7H2,1-3H3
InChIKeyZPAQOZXDDSBGEJ-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.55
Rot. Bonds6

About N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine

N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine (PubChem CID 113410451) has the molecular formula C10H19F5N2 and a molecular weight of 262.27 g/mol. Its IUPAC name is N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine
PubChem CID113410451
Molecular FormulaC10H19F5N2
Molecular Weight262.27 g/mol
Exact Mass262.15
IUPAC NameN'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine
SMILESCC(C)(C)NCCCNCC(F)(F)C(F)(F)F
InChIInChI=1S/C10H19F5N2/c1-8(2,3)17-6-4-5-16-7-9(11,12)10(13,14)15/h16-17H,4-7H2,1-3H3
InChIKeyZPAQOZXDDSBGEJ-UHFFFAOYSA-N
XLogP2.55
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine?
The IUPAC name of N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine (CID 113410451) is N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine?
The canonical SMILES for N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine is CC(C)(C)NCCCNCC(F)(F)C(F)(F)F.
What is the InChIKey of N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine?
The InChIKey is ZPAQOZXDDSBGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F5N2/c1-8(2,3)17-6-4-5-16-7-9(11,12)10(13,14)15/h16-17H,4-7H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine?
N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine has a molecular weight of 262.27 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine is sourced from PubChem (CID 113410451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).