4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol

C7H12F5NO — CID 10878705

IUPAC4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol
SMILESCC(C)C(N)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H12F5NO/c1-3(2)4(13)5(14)6(8,9)7(10,11)12/h3-5,14H,13H2,1-2H3
InChIKeyIRACCQXPWWTFKL-UHFFFAOYSA-N
MW221.17 g/mol
LogP1.53
Rot. Bonds3

About 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol

4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol (PubChem CID 10878705) has the molecular formula C7H12F5NO and a molecular weight of 221.17 g/mol. Its IUPAC name is 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol.

Molecular Properties

Compound Name4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol
PubChem CID10878705
Molecular FormulaC7H12F5NO
Molecular Weight221.17 g/mol
Exact Mass221.08
IUPAC Name4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol
SMILESCC(C)C(N)C(O)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H12F5NO/c1-3(2)4(13)5(14)6(8,9)7(10,11)12/h3-5,14H,13H2,1-2H3
InChIKeyIRACCQXPWWTFKL-UHFFFAOYSA-N
XLogP1.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 51.53
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-pentafluoro-5-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 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol?
The IUPAC name of 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol (CID 10878705) is 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol.
What is the SMILES notation for 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol?
The canonical SMILES for 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol is CC(C)C(N)C(O)C(F)(F)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol?
The InChIKey is IRACCQXPWWTFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F5NO/c1-3(2)4(13)5(14)6(8,9)7(10,11)12/h3-5,14H,13H2,1-2H3.
What are the key properties of 4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol?
4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol has a molecular weight of 221.17 g/mol, XLogP of 1.53, 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-pentafluoro-5-methylhexan-3-ol is sourced from PubChem (CID 10878705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).