N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine

C6H2F13NO — CID 54500305

IUPACN-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine
SMILESONC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F13NO/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20-21/h20-21H
InChIKeyYBYHDUBSIVGCKL-UHFFFAOYSA-N
MW351.06 g/mol
LogP3.66
Rot. Bonds5

About N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine

N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine (PubChem CID 54500305) has the molecular formula C6H2F13NO and a molecular weight of 351.06 g/mol. Its IUPAC name is N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine.

Molecular Properties

Compound NameN-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine
PubChem CID54500305
Molecular FormulaC6H2F13NO
Molecular Weight351.06 g/mol
Exact Mass350.99
IUPAC NameN-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine
SMILESONC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F13NO/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20-21/h20-21H
InChIKeyYBYHDUBSIVGCKL-UHFFFAOYSA-N
XLogP3.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(1,1,2,2,3,3,3-heptafluoropropyl)hexan-1-amine
CID 90982918
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctan-1-amine
CID 87370892
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
CID 175811708
CID 175811708
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,17-dotriacontafluoroheptadec-1-ene
CID 162345633
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tetracosafluorotridec-1-ene
CID 162345261
2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-octadecafluorodec-1-ene
CID 175705428
1,1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,9,9,9-nonadecafluorononan-3-ol
CID 87401699
bis(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)diazene
CID 139700095

Frequently Asked Questions

What is the IUPAC name of N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine?
The IUPAC name of N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine (CID 54500305) is N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine.
What is the SMILES notation for N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine?
The canonical SMILES for N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine is ONC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine?
The InChIKey is YBYHDUBSIVGCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F13NO/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)20-21/h20-21H.
What are the key properties of N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine?
N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine has a molecular weight of 351.06 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)hydroxylamine is sourced from PubChem (CID 54500305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).