6-amino-3,3,4,4-tetrafluorohexan-1-ol

C6H11F4NO — CID 87063820

IUPAC6-amino-3,3,4,4-tetrafluorohexan-1-ol
SMILESNCCC(F)(F)C(F)(F)CCO
InChIInChI=1S/C6H11F4NO/c7-5(8,1-3-11)6(9,10)2-4-12/h12H,1-4,11H2
InChIKeyJBMZOBOOSDRDBQ-UHFFFAOYSA-N
MW189.15 g/mol
LogP0.99
Rot. Bonds5

About 6-amino-3,3,4,4-tetrafluorohexan-1-ol

6-amino-3,3,4,4-tetrafluorohexan-1-ol (PubChem CID 87063820) has the molecular formula C6H11F4NO and a molecular weight of 189.15 g/mol. Its IUPAC name is 6-amino-3,3,4,4-tetrafluorohexan-1-ol.

Molecular Properties

Compound Name6-amino-3,3,4,4-tetrafluorohexan-1-ol
PubChem CID87063820
Molecular FormulaC6H11F4NO
Molecular Weight189.15 g/mol
Exact Mass189.08
IUPAC Name6-amino-3,3,4,4-tetrafluorohexan-1-ol
SMILESNCCC(F)(F)C(F)(F)CCO
InChIInChI=1S/C6H11F4NO/c7-5(8,1-3-11)6(9,10)2-4-12/h12H,1-4,11H2
InChIKeyJBMZOBOOSDRDBQ-UHFFFAOYSA-N
XLogP0.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 50.99
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 6-amino-3,3,4,4-tetrafluorohexan-1-ol?
The IUPAC name of 6-amino-3,3,4,4-tetrafluorohexan-1-ol (CID 87063820) is 6-amino-3,3,4,4-tetrafluorohexan-1-ol.
What is the SMILES notation for 6-amino-3,3,4,4-tetrafluorohexan-1-ol?
The canonical SMILES for 6-amino-3,3,4,4-tetrafluorohexan-1-ol is NCCC(F)(F)C(F)(F)CCO.
What is the InChIKey of 6-amino-3,3,4,4-tetrafluorohexan-1-ol?
The InChIKey is JBMZOBOOSDRDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F4NO/c7-5(8,1-3-11)6(9,10)2-4-12/h12H,1-4,11H2.
What are the key properties of 6-amino-3,3,4,4-tetrafluorohexan-1-ol?
6-amino-3,3,4,4-tetrafluorohexan-1-ol has a molecular weight of 189.15 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,3,4,4-tetrafluorohexan-1-ol is sourced from PubChem (CID 87063820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).