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

C6H10F5NO — CID 59092951

IUPAC4-amino-1,1,1,2,2-pentafluorohexan-3-ol
SMILESCCC(N)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO/c1-2-3(12)4(13)5(7,8)6(9,10)11/h3-4,13H,2,12H2,1H3
InChIKeyVNFXCDAGQGZFBO-UHFFFAOYSA-N
MW207.14 g/mol
LogP1.28
Rot. Bonds3

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

4-amino-1,1,1,2,2-pentafluorohexan-3-ol (PubChem CID 59092951) 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-pentafluorohexan-3-ol.

Molecular Properties

Compound Name4-amino-1,1,1,2,2-pentafluorohexan-3-ol
PubChem CID59092951
Molecular FormulaC6H10F5NO
Molecular Weight207.14 g/mol
Exact Mass207.07
IUPAC Name4-amino-1,1,1,2,2-pentafluorohexan-3-ol
SMILESCCC(N)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H10F5NO/c1-2-3(12)4(13)5(7,8)6(9,10)11/h3-4,13H,2,12H2,1H3
InChIKeyVNFXCDAGQGZFBO-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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'}

Analyze 4-amino-1,1,1,2,2-pentafluorohexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1,2,2-pentafluorohexan-3-ol?
The IUPAC name of 4-amino-1,1,1,2,2-pentafluorohexan-3-ol (CID 59092951) is 4-amino-1,1,1,2,2-pentafluorohexan-3-ol.
What is the SMILES notation for 4-amino-1,1,1,2,2-pentafluorohexan-3-ol?
The canonical SMILES for 4-amino-1,1,1,2,2-pentafluorohexan-3-ol is CCC(N)C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1,2,2-pentafluorohexan-3-ol?
The InChIKey is VNFXCDAGQGZFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F5NO/c1-2-3(12)4(13)5(7,8)6(9,10)11/h3-4,13H,2,12H2,1H3.
What are the key properties of 4-amino-1,1,1,2,2-pentafluorohexan-3-ol?
4-amino-1,1,1,2,2-pentafluorohexan-3-ol has a molecular weight of 207.14 g/mol, XLogP of 1.28, 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 is sourced from PubChem (CID 59092951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).