1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol

C6H6F9NO — CID 14914914

IUPAC1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
SMILESNCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9NO/c7-3(8,2(17)1-16)4(9,10)5(11,12)6(13,14)15/h2,17H,1,16H2
InChIKeySNWTZZYGEHPHCQ-UHFFFAOYSA-N
MW279.10 g/mol
LogP1.77
Rot. Bonds4

About 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol

1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol (PubChem CID 14914914) has the molecular formula C6H6F9NO and a molecular weight of 279.10 g/mol. Its IUPAC name is 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol.

Molecular Properties

Compound Name1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
PubChem CID14914914
Molecular FormulaC6H6F9NO
Molecular Weight279.10 g/mol
Exact Mass279.03
IUPAC Name1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
SMILESNCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H6F9NO/c7-3(8,2(17)1-16)4(9,10)5(11,12)6(13,14)15/h2,17H,1,16H2
InChIKeySNWTZZYGEHPHCQ-UHFFFAOYSA-N
XLogP1.77
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.10
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol?
The IUPAC name of 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol (CID 14914914) is 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol.
What is the SMILES notation for 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol?
The canonical SMILES for 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol is NCC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol?
The InChIKey is SNWTZZYGEHPHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F9NO/c7-3(8,2(17)1-16)4(9,10)5(11,12)6(13,14)15/h2,17H,1,16H2.
What are the key properties of 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol?
1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol has a molecular weight of 279.10 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol is sourced from PubChem (CID 14914914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).