4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine

C33H18F51N — CID 15604852

IUPAC4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine
SMILESCCC(N(C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C33H18F51N/c1-4-7(10(34,35)13(40,41)16(46,47)19(52,53)22(58,59)25(64,65)28(70,71)31(76,77)78)85(8(5-2)11(36,37)14(42,43)17(48,49)20(54,55)23(60,61)26(66,67)29(72,73)32(79,80)81)9(6-3)12(38,39)15(44,45)18(50,51)21(56,57)24(62,63)27(68,69)30(74,75)33(82,83)84/h7-9H,4-6H2,1-3H3
InChIKeyRAQBZKHCCCBZNV-UHFFFAOYSA-N
MW1397.41 g/mol
LogP18.65
Rot. Bonds27

About 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine

4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine (PubChem CID 15604852) has the molecular formula C33H18F51N and a molecular weight of 1397.41 g/mol. Its IUPAC name is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine.

Molecular Properties

Compound Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine
PubChem CID15604852
Molecular FormulaC33H18F51N
Molecular Weight1397.41 g/mol
Exact Mass1397.06
IUPAC Name4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine
SMILESCCC(N(C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C33H18F51N/c1-4-7(10(34,35)13(40,41)16(46,47)19(52,53)22(58,59)25(64,65)28(70,71)31(76,77)78)85(8(5-2)11(36,37)14(42,43)17(48,49)20(54,55)23(60,61)26(66,67)29(72,73)32(79,80)81)9(6-3)12(38,39)15(44,45)18(50,51)21(56,57)24(62,63)27(68,69)30(74,75)33(82,83)84/h7-9H,4-6H2,1-3H3
InChIKeyRAQBZKHCCCBZNV-UHFFFAOYSA-N
XLogP18.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001397.41
LogP ≤ 518.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine?
The IUPAC name of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine (CID 15604852) is 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine.
What is the SMILES notation for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine?
The canonical SMILES for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine is CCC(N(C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(CC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine?
The InChIKey is RAQBZKHCCCBZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H18F51N/c1-4-7(10(34,35)13(40,41)16(46,47)19(52,53)22(58,59)25(64,65)28(70,71)31(76,77)78)85(8(5-2)11(36,37)14(42,43)17(48,49)20(54,55)23(60,61)26(66,67)29(72,73)32(79,80)81)9(6-3)12(38,39)15(44,45)18(50,51)21(56,57)24(62,63)27(68,69)30(74,75)33(82,83)84/h7-9H,4-6H2,1-3H3.
What are the key properties of 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine?
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine has a molecular weight of 1397.41 g/mol, XLogP of 18.65, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-N,N-bis(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecan-3-yl)undecan-3-amine is sourced from PubChem (CID 15604852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).