2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine

C16H12F15N — CID 10885632

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine
SMILESC[C@@H](NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H12F15N/c1-8(9-5-3-2-4-6-9)32-7-10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-6,8,32H,7H2,1H3/t8-/m1/s1
InChIKeyGSVFQKNKAURIRY-MRVPVSSYSA-N
MW503.25 g/mol
LogP6.71
Rot. Bonds9

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine

2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine (PubChem CID 10885632) has the molecular formula C16H12F15N and a molecular weight of 503.25 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine
PubChem CID10885632
Molecular FormulaC16H12F15N
Molecular Weight503.25 g/mol
Exact Mass503.07
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine
SMILESC[C@@H](NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C16H12F15N/c1-8(9-5-3-2-4-6-9)32-7-10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-6,8,32H,7H2,1H3/t8-/m1/s1
InChIKeyGSVFQKNKAURIRY-MRVPVSSYSA-N
XLogP6.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.25
LogP ≤ 56.71
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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine (CID 10885632) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine is C[C@@H](NCC(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 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine?
The InChIKey is GSVFQKNKAURIRY-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H12F15N/c1-8(9-5-3-2-4-6-9)32-7-10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h2-6,8,32H,7H2,1H3/t8-/m1/s1.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine?
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine has a molecular weight of 503.25 g/mol, XLogP of 6.71, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[(1R)-1-phenylethyl]octan-1-amine is sourced from PubChem (CID 10885632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).