4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride

C6H11ClF5NO — CID 86199159

IUPAC4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride
SMILESCCC(N)C(O)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C6H10F5NO.ClH/c1-2-3(12)4(13)5(7,8)6(9,10)11;/h3-4,13H,2,12H2,1H3;1H
InChIKeyJSWFGYDTWOXECB-UHFFFAOYSA-N
MW243.60 g/mol
LogP1.70
Rot. Bonds3

About 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride

4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride (PubChem CID 86199159) has the molecular formula C6H11ClF5NO and a molecular weight of 243.60 g/mol. Its IUPAC name is 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride.

Molecular Properties

Compound Name4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride
PubChem CID86199159
Molecular FormulaC6H11ClF5NO
Molecular Weight243.60 g/mol
Exact Mass243.04
IUPAC Name4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride
SMILESCCC(N)C(O)C(F)(F)C(F)(F)F.Cl
InChIInChI=1S/C6H10F5NO.ClH/c1-2-3(12)4(13)5(7,8)6(9,10)11;/h3-4,13H,2,12H2,1H3;1H
InChIKeyJSWFGYDTWOXECB-UHFFFAOYSA-N
XLogP1.70
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.60
LogP ≤ 51.70
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 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride?
The IUPAC name of 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride (CID 86199159) is 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride.
What is the SMILES notation for 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride?
The canonical SMILES for 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride is CCC(N)C(O)C(F)(F)C(F)(F)F.Cl.
What is the InChIKey of 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride?
The InChIKey is JSWFGYDTWOXECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO.ClH/c1-2-3(12)4(13)5(7,8)6(9,10)11;/h3-4,13H,2,12H2,1H3;1H.
What are the key properties of 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride?
4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride has a molecular weight of 243.60 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,1,1,2,2-pentafluorohexan-3-ol;hydrochloride is sourced from PubChem (CID 86199159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).