2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol

C7H10F7NO — CID 66039063

IUPAC2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol
SMILESCC(C)(N)C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F7NO/c1-4(2,15)3(16)5(8,9)6(10,11)7(12,13)14/h3,16H,15H2,1-2H3
InChIKeyABYLTSRUFIJVRR-UHFFFAOYSA-N
MW257.15 g/mol
LogP1.92
Rot. Bonds3

About 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol

2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol (PubChem CID 66039063) has the molecular formula C7H10F7NO and a molecular weight of 257.15 g/mol. Its IUPAC name is 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol.

Molecular Properties

Compound Name2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol
PubChem CID66039063
Molecular FormulaC7H10F7NO
Molecular Weight257.15 g/mol
Exact Mass257.07
IUPAC Name2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol
SMILESCC(C)(N)C(O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H10F7NO/c1-4(2,15)3(16)5(8,9)6(10,11)7(12,13)14/h3,16H,15H2,1-2H3
InChIKeyABYLTSRUFIJVRR-UHFFFAOYSA-N
XLogP1.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.15
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-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 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol?
The IUPAC name of 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol (CID 66039063) is 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol.
What is the SMILES notation for 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol?
The canonical SMILES for 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol is CC(C)(N)C(O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol?
The InChIKey is ABYLTSRUFIJVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F7NO/c1-4(2,15)3(16)5(8,9)6(10,11)7(12,13)14/h3,16H,15H2,1-2H3.
What are the key properties of 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol?
2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol has a molecular weight of 257.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol is sourced from PubChem (CID 66039063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).