5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine

C16H18F17N — CID 134975254

IUPAC5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine
SMILESCC(C)N(C)C(C)CCC(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/C16H18F17N/c1-7(2)34(4)8(3)5-6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,5-6H2,1-4H3
InChIKeyDUIODXXNAPHVNA-UHFFFAOYSA-N
MW547.29 g/mol
LogP7.50
Rot. Bonds11

About 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine

5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine (PubChem CID 134975254) has the molecular formula C16H18F17N and a molecular weight of 547.29 g/mol. Its IUPAC name is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine.

Molecular Properties

Compound Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine
PubChem CID134975254
Molecular FormulaC16H18F17N
Molecular Weight547.29 g/mol
Exact Mass547.12
IUPAC Name5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine
SMILESCC(C)N(C)C(C)CCC(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/C16H18F17N/c1-7(2)34(4)8(3)5-6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,5-6H2,1-4H3
InChIKeyDUIODXXNAPHVNA-UHFFFAOYSA-N
XLogP7.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.29
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine?
The IUPAC name of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine (CID 134975254) is 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine.
What is the SMILES notation for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine?
The canonical SMILES for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine is CC(C)N(C)C(C)CCC(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 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine?
The InChIKey is DUIODXXNAPHVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F17N/c1-7(2)34(4)8(3)5-6-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,5-6H2,1-4H3.
What are the key properties of 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine?
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine has a molecular weight of 547.29 g/mol, XLogP of 7.50, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-heptadecafluoro-N-methyl-N-propan-2-yldodecan-2-amine is sourced from PubChem (CID 134975254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).