4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol

C6H10F5NO — CID 66038819

IUPAC4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol
SMILESCC(C)(N)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO/c1-4(2,12)3(13)5(7,8)6(9,10)11/h3,13H,12H2,1-2H3
InChIKeyHVQFFSURKCTNFS-UHFFFAOYSA-N
MW207.14 g/mol
LogP1.28
Rot. Bonds2

About 4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol

4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol (PubChem CID 66038819) has the molecular formula C6H10F5NO and a molecular weight of 207.14 g/mol. Its IUPAC name is 4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol.

Molecular Properties

Compound Name4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol
PubChem CID66038819
Molecular FormulaC6H10F5NO
Molecular Weight207.14 g/mol
Exact Mass207.07
IUPAC Name4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol
SMILESCC(C)(N)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO/c1-4(2,12)3(13)5(7,8)6(9,10)11/h3,13H,12H2,1-2H3
InChIKeyHVQFFSURKCTNFS-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.14
LogP ≤ 51.28
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-pentafluoro-4-methylpentan-3-ol?
The IUPAC name of 4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol (CID 66038819) is 4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol.
What is the SMILES notation for 4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol?
The canonical SMILES for 4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol is CC(C)(N)C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol?
The InChIKey is HVQFFSURKCTNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO/c1-4(2,12)3(13)5(7,8)6(9,10)11/h3,13H,12H2,1-2H3.
What are the key properties of 4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol?
4-amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol has a molecular weight of 207.14 g/mol, XLogP of 1.28, 2 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-pentafluoro-4-methylpentan-3-ol is sourced from PubChem (CID 66038819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).