N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine

C13H24F6N2 — CID 177295871

IUPACN,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine
SMILESCC(C)(C)NCCC(F)(F)C(F)(F)C(F)(F)NC(C)(C)C
InChIInChI=1S/C13H24F6N2/c1-9(2,3)20-8-7-11(14,15)12(16,17)13(18,19)21-10(4,5)6/h20-21H,7-8H2,1-6H3
InChIKeyFGMHIBITONCAKP-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.02
Rot. Bonds6

About N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine

N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine (PubChem CID 177295871) has the molecular formula C13H24F6N2 and a molecular weight of 322.34 g/mol. Its IUPAC name is N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine
PubChem CID177295871
Molecular FormulaC13H24F6N2
Molecular Weight322.34 g/mol
Exact Mass322.18
IUPAC NameN,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine
SMILESCC(C)(C)NCCC(F)(F)C(F)(F)C(F)(F)NC(C)(C)C
InChIInChI=1S/C13H24F6N2/c1-9(2,3)20-8-7-11(14,15)12(16,17)13(18,19)21-10(4,5)6/h20-21H,7-8H2,1-6H3
InChIKeyFGMHIBITONCAKP-UHFFFAOYSA-N
XLogP4.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pentane, 1,5-bis-n-butylamino-2,2,3,3,4,4-hexafluoro-
CID 101055983
Pentane, 2,2,3,3,4,4-hexafluoro-1,5-bisisopropylamino-
CID 101055996
Pentane, 1,5-bis-t-butylamino-2,2,3,3,4,4-hexafluoro-
CID 171384884
N-(3,3,3-trifluoropropyl)pentan-1-amine
CID 60684173
N-tert-butyl-4,4,4-trifluorobutan-1-amine
CID 64565956
N-tert-butyl-3,3-difluorobutan-1-amine
CID 84652188
N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine
CID 87730183
N-(1,1,2,2,3,3,3-heptafluoropropyl)pentan-1-amine
CID 88532701
N-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 88532796
N-tert-butyl-4,4-difluorocyclohexan-1-amine
CID 89474959
N-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-methylpentan-1-amine
CID 90760291
N-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]heptan-1-amine
CID 91087872

Frequently Asked Questions

What is the IUPAC name of N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine?
The IUPAC name of N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine (CID 177295871) is N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine.
What is the SMILES notation for N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine?
The canonical SMILES for N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine is CC(C)(C)NCCC(F)(F)C(F)(F)C(F)(F)NC(C)(C)C.
What is the InChIKey of N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine?
The InChIKey is FGMHIBITONCAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F6N2/c1-9(2,3)20-8-7-11(14,15)12(16,17)13(18,19)21-10(4,5)6/h20-21H,7-8H2,1-6H3.
What are the key properties of N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine?
N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine has a molecular weight of 322.34 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-ditert-butyl-1,1,2,2,3,3-hexafluoropentane-1,5-diamine is sourced from PubChem (CID 177295871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).