6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol

C17H29F8NO — CID 121403474

IUPAC6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(O)CNC
InChIInChI=1S/C17H29F8NO/c1-3-4-5-6-7-10-14(18,19)16(22,23)17(24,25)15(20,21)11-8-9-13(27)12-26-2/h13,26-27H,3-12H2,1-2H3
InChIKeyYHOCFCVWTQEYCF-UHFFFAOYSA-N
MW415.41 g/mol
LogP5.64
Rot. Bonds15

About 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol

6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol (PubChem CID 121403474) has the molecular formula C17H29F8NO and a molecular weight of 415.41 g/mol. Its IUPAC name is 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol.

Molecular Properties

Compound Name6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol
PubChem CID121403474
Molecular FormulaC17H29F8NO
Molecular Weight415.41 g/mol
Exact Mass415.21
IUPAC Name6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(O)CNC
InChIInChI=1S/C17H29F8NO/c1-3-4-5-6-7-10-14(18,19)16(22,23)17(24,25)15(20,21)11-8-9-13(27)12-26-2/h13,26-27H,3-12H2,1-2H3
InChIKeyYHOCFCVWTQEYCF-UHFFFAOYSA-N
XLogP5.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.41
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol?
The IUPAC name of 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol (CID 121403474) is 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol.
What is the SMILES notation for 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol?
The canonical SMILES for 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol is CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCC(O)CNC.
What is the InChIKey of 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol?
The InChIKey is YHOCFCVWTQEYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29F8NO/c1-3-4-5-6-7-10-14(18,19)16(22,23)17(24,25)15(20,21)11-8-9-13(27)12-26-2/h13,26-27H,3-12H2,1-2H3.
What are the key properties of 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol?
6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol has a molecular weight of 415.41 g/mol, XLogP of 5.64, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,7,7,8,8,9,9-octafluoro-1-(methylamino)hexadecan-2-ol is sourced from PubChem (CID 121403474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).