N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine

C19H17F24N — CID 170096057

IUPACN-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine
SMILESCN(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C19H17F24N/c1-44(6-2-4-10(24,25)14(32,33)18(40,41)16(36,37)12(28,29)8(20)21)7-3-5-11(26,27)15(34,35)19(42,43)17(38,39)13(30,31)9(22)23/h8-9H,2-7H2,1H3
InChIKeyWISVXWGBDHCLGG-UHFFFAOYSA-N
MW715.30 g/mol
LogP9.36
Rot. Bonds18

About N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine

N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine (PubChem CID 170096057) has the molecular formula C19H17F24N and a molecular weight of 715.30 g/mol. Its IUPAC name is N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine.

Molecular Properties

Compound NameN-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine
PubChem CID170096057
Molecular FormulaC19H17F24N
Molecular Weight715.30 g/mol
Exact Mass715.10
IUPAC NameN-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine
SMILESCN(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C19H17F24N/c1-44(6-2-4-10(24,25)14(32,33)18(40,41)16(36,37)12(28,29)8(20)21)7-3-5-11(26,27)15(34,35)19(42,43)17(38,39)13(30,31)9(22)23/h8-9H,2-7H2,1H3
InChIKeyWISVXWGBDHCLGG-UHFFFAOYSA-N
XLogP9.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.30
LogP ≤ 59.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine?
The IUPAC name of N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine (CID 170096057) is N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine.
What is the SMILES notation for N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine?
The canonical SMILES for N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine is CN(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine?
The InChIKey is WISVXWGBDHCLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F24N/c1-44(6-2-4-10(24,25)14(32,33)18(40,41)16(36,37)12(28,29)8(20)21)7-3-5-11(26,27)15(34,35)19(42,43)17(38,39)13(30,31)9(22)23/h8-9H,2-7H2,1H3.
What are the key properties of N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine?
N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine has a molecular weight of 715.30 g/mol, XLogP of 9.36, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine is sourced from PubChem (CID 170096057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).