1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine

C12H4F24N2 — CID 71343779

IUPAC1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine
SMILESFC(F)(F)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H4F24N2/c13-3(14,1-2-37(9(25,26)27)10(28,29)30)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)38(11(31,32)33)12(34,35)36/h1-2H2
InChIKeyYWFHPEPXPRKHQS-UHFFFAOYSA-N
MW632.13 g/mol
LogP7.83
Rot. Bonds9

About 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine

1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine (PubChem CID 71343779) has the molecular formula C12H4F24N2 and a molecular weight of 632.13 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine
PubChem CID71343779
Molecular FormulaC12H4F24N2
Molecular Weight632.13 g/mol
Exact Mass632.00
IUPAC Name1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine
SMILESFC(F)(F)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H4F24N2/c13-3(14,1-2-37(9(25,26)27)10(28,29)30)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)38(11(31,32)33)12(34,35)36/h1-2H2
InChIKeyYWFHPEPXPRKHQS-UHFFFAOYSA-N
XLogP7.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.13
LogP ≤ 57.83
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine?
The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine (CID 71343779) is 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine?
The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine is FC(F)(F)N(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine?
The InChIKey is YWFHPEPXPRKHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F24N2/c13-3(14,1-2-37(9(25,26)27)10(28,29)30)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)38(11(31,32)33)12(34,35)36/h1-2H2.
What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine?
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine has a molecular weight of 632.13 g/mol, XLogP of 7.83, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-N,N,N',N'-tetrakis(trifluoromethyl)octane-1,8-diamine is sourced from PubChem (CID 71343779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).