3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine

C19H16F17N — CID 19967895

IUPAC3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine
SMILESCC(C)(NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F17N/c1-11(2,10-6-4-3-5-7-10)37-9-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h3-7,37H,8-9H2,1-2H3
InChIKeyJGSZQTJDFFMSHM-UHFFFAOYSA-N
MW581.31 g/mol
LogP7.91
Rot. Bonds11

About 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine (PubChem CID 19967895) has the molecular formula C19H16F17N and a molecular weight of 581.31 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine
PubChem CID19967895
Molecular FormulaC19H16F17N
Molecular Weight581.31 g/mol
Exact Mass581.10
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine
SMILESCC(C)(NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H16F17N/c1-11(2,10-6-4-3-5-7-10)37-9-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h3-7,37H,8-9H2,1-2H3
InChIKeyJGSZQTJDFFMSHM-UHFFFAOYSA-N
XLogP7.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.31
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine (CID 19967895) is 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine is CC(C)(NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine?
The InChIKey is JGSZQTJDFFMSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F17N/c1-11(2,10-6-4-3-5-7-10)37-9-8-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h3-7,37H,8-9H2,1-2H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine?
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine has a molecular weight of 581.31 g/mol, XLogP of 7.91, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-N-(2-phenylpropan-2-yl)decan-1-amine is sourced from PubChem (CID 19967895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).