6-amino-9,9-difluorodecan-1-ol

C10H21F2NO — CID 163278431

IUPAC6-amino-9,9-difluorodecan-1-ol
SMILESCC(F)(F)CCC(N)CCCCCO
InChIInChI=1S/C10H21F2NO/c1-10(11,12)7-6-9(13)5-3-2-4-8-14/h9,14H,2-8,13H2,1H3
InChIKeyIUBRSQIMXDNOAB-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.30
Rot. Bonds8

About 6-amino-9,9-difluorodecan-1-ol

6-amino-9,9-difluorodecan-1-ol (PubChem CID 163278431) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 6-amino-9,9-difluorodecan-1-ol.

Molecular Properties

Compound Name6-amino-9,9-difluorodecan-1-ol
PubChem CID163278431
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name6-amino-9,9-difluorodecan-1-ol
SMILESCC(F)(F)CCC(N)CCCCCO
InChIInChI=1S/C10H21F2NO/c1-10(11,12)7-6-9(13)5-3-2-4-8-14/h9,14H,2-8,13H2,1H3
InChIKeyIUBRSQIMXDNOAB-UHFFFAOYSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-amino-9,9-difluorodecan-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 6-amino-9,9-difluorodecan-1-ol?
The IUPAC name of 6-amino-9,9-difluorodecan-1-ol (CID 163278431) is 6-amino-9,9-difluorodecan-1-ol.
What is the SMILES notation for 6-amino-9,9-difluorodecan-1-ol?
The canonical SMILES for 6-amino-9,9-difluorodecan-1-ol is CC(F)(F)CCC(N)CCCCCO.
What is the InChIKey of 6-amino-9,9-difluorodecan-1-ol?
The InChIKey is IUBRSQIMXDNOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-10(11,12)7-6-9(13)5-3-2-4-8-14/h9,14H,2-8,13H2,1H3.
What are the key properties of 6-amino-9,9-difluorodecan-1-ol?
6-amino-9,9-difluorodecan-1-ol has a molecular weight of 209.28 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9,9-difluorodecan-1-ol is sourced from PubChem (CID 163278431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).