3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine

C16H28F8N2 — CID 59059933

IUPAC3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine
SMILESCC(C)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN(C)C(C)C
InChIInChI=1S/C16H28F8N2/c1-11(2)25(5)9-7-13(17,18)15(21,22)16(23,24)14(19,20)8-10-26(6)12(3)4/h11-12H,7-10H2,1-6H3
InChIKeyYRCSYJDZUVQMOI-UHFFFAOYSA-N
MW400.40 g/mol
LogP4.99
Rot. Bonds11

About 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine

3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine (PubChem CID 59059933) has the molecular formula C16H28F8N2 and a molecular weight of 400.40 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine
PubChem CID59059933
Molecular FormulaC16H28F8N2
Molecular Weight400.40 g/mol
Exact Mass400.21
IUPAC Name3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine
SMILESCC(C)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN(C)C(C)C
InChIInChI=1S/C16H28F8N2/c1-11(2)25(5)9-7-13(17,18)15(21,22)16(23,24)14(19,20)8-10-26(6)12(3)4/h11-12H,7-10H2,1-6H3
InChIKeyYRCSYJDZUVQMOI-UHFFFAOYSA-N
XLogP4.99
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine?
The IUPAC name of 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine (CID 59059933) is 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine.
What is the SMILES notation for 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine?
The canonical SMILES for 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine is CC(C)N(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN(C)C(C)C.
What is the InChIKey of 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine?
The InChIKey is YRCSYJDZUVQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F8N2/c1-11(2)25(5)9-7-13(17,18)15(21,22)16(23,24)14(19,20)8-10-26(6)12(3)4/h11-12H,7-10H2,1-6H3.
What are the key properties of 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine?
3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine has a molecular weight of 400.40 g/mol, XLogP of 4.99, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6-octafluoro-N,N'-dimethyl-N,N'-di(propan-2-yl)octane-1,8-diamine is sourced from PubChem (CID 59059933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).