1,1,1-trifluoro-6-nonoxyhexan-2-ol

C15H29F3O2 — CID 139609821

IUPAC1,1,1-trifluoro-6-nonoxyhexan-2-ol
SMILESCCCCCCCCCOCCCCC(O)C(F)(F)F
InChIInChI=1S/C15H29F3O2/c1-2-3-4-5-6-7-9-12-20-13-10-8-11-14(19)15(16,17)18/h14,19H,2-13H2,1H3
InChIKeyCGDZKXGWUANSIU-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.85
Rot. Bonds13

About 1,1,1-trifluoro-6-nonoxyhexan-2-ol

1,1,1-trifluoro-6-nonoxyhexan-2-ol (PubChem CID 139609821) has the molecular formula C15H29F3O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1,1,1-trifluoro-6-nonoxyhexan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-6-nonoxyhexan-2-ol
PubChem CID139609821
Molecular FormulaC15H29F3O2
Molecular Weight298.39 g/mol
Exact Mass298.21
IUPAC Name1,1,1-trifluoro-6-nonoxyhexan-2-ol
SMILESCCCCCCCCCOCCCCC(O)C(F)(F)F
InChIInChI=1S/C15H29F3O2/c1-2-3-4-5-6-7-9-12-20-13-10-8-11-14(19)15(16,17)18/h14,19H,2-13H2,1H3
InChIKeyCGDZKXGWUANSIU-UHFFFAOYSA-N
XLogP4.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-6-nonoxyhexan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1-trifluoro-8-pentoxyoctan-2-ol
CID 139609867
(2R)-1,1,1-trifluoroundecan-2-ol
CID 2779105
(2S)-1,1,1-trifluorodecan-2-ol
CID 10878470
8-ethoxy-1,1,1-trifluorooctan-2-ol
CID 19365294
(2R)-7-ethoxy-1,1,1-trifluoroheptan-2-ol
CID 10198260
10-ethoxy-1,1,1-trifluorodecan-2-ol
CID 86189496
12-(7-hydroxydodecoxy)dodecan-6-ol
CID 90689628
1,19-dibutoxynonadecan-10-ol
CID 129293593
9-fluoro-1-(9-fluoropentacosoxy)pentacosane
CID 175553006
22-butoxydocosan-2-ol
CID 88608244
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6-nonoxyhexan-2-ol?
The IUPAC name of 1,1,1-trifluoro-6-nonoxyhexan-2-ol (CID 139609821) is 1,1,1-trifluoro-6-nonoxyhexan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-6-nonoxyhexan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-6-nonoxyhexan-2-ol is CCCCCCCCCOCCCCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-6-nonoxyhexan-2-ol?
The InChIKey is CGDZKXGWUANSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3O2/c1-2-3-4-5-6-7-9-12-20-13-10-8-11-14(19)15(16,17)18/h14,19H,2-13H2,1H3.
What are the key properties of 1,1,1-trifluoro-6-nonoxyhexan-2-ol?
1,1,1-trifluoro-6-nonoxyhexan-2-ol has a molecular weight of 298.39 g/mol, XLogP of 4.85, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-6-nonoxyhexan-2-ol is sourced from PubChem (CID 139609821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).