3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol

C9H16F5NO2 — CID 114358337

IUPAC3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
SMILESCC(C)C(N)C(CO)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H16F5NO2/c1-5(2)7(15)6(3-16)17-4-8(10,11)9(12,13)14/h5-7,16H,3-4,15H2,1-2H3
InChIKeyKSBCMKWGUXAKHY-UHFFFAOYSA-N
MW265.22 g/mol
LogP1.54
Rot. Bonds6

About 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol

3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol (PubChem CID 114358337) has the molecular formula C9H16F5NO2 and a molecular weight of 265.22 g/mol. Its IUPAC name is 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol.

Molecular Properties

Compound Name3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
PubChem CID114358337
Molecular FormulaC9H16F5NO2
Molecular Weight265.22 g/mol
Exact Mass265.11
IUPAC Name3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol
SMILESCC(C)C(N)C(CO)OCC(F)(F)C(F)(F)F
InChIInChI=1S/C9H16F5NO2/c1-5(2)7(15)6(3-16)17-4-8(10,11)9(12,13)14/h5-7,16H,3-4,15H2,1-2H3
InChIKeyKSBCMKWGUXAKHY-UHFFFAOYSA-N
XLogP1.54
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-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 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol?
The IUPAC name of 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol (CID 114358337) is 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol.
What is the SMILES notation for 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol?
The canonical SMILES for 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol is CC(C)C(N)C(CO)OCC(F)(F)C(F)(F)F.
What is the InChIKey of 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol?
The InChIKey is KSBCMKWGUXAKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F5NO2/c1-5(2)7(15)6(3-16)17-4-8(10,11)9(12,13)14/h5-7,16H,3-4,15H2,1-2H3.
What are the key properties of 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol?
3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol has a molecular weight of 265.22 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methyl-2-(2,2,3,3,3-pentafluoropropoxy)pentan-1-ol is sourced from PubChem (CID 114358337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).