8,8,8-trifluoro-3,3-dimethyloctan-4-ol

C10H19F3O — CID 115828379

IUPAC8,8,8-trifluoro-3,3-dimethyloctan-4-ol
SMILESCCC(C)(C)C(O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3O/c1-4-9(2,3)8(14)6-5-7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeySKPPIVRNAYVJEZ-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.52
Rot. Bonds5

About 8,8,8-trifluoro-3,3-dimethyloctan-4-ol

8,8,8-trifluoro-3,3-dimethyloctan-4-ol (PubChem CID 115828379) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 8,8,8-trifluoro-3,3-dimethyloctan-4-ol.

Molecular Properties

Compound Name8,8,8-trifluoro-3,3-dimethyloctan-4-ol
PubChem CID115828379
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name8,8,8-trifluoro-3,3-dimethyloctan-4-ol
SMILESCCC(C)(C)C(O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3O/c1-4-9(2,3)8(14)6-5-7-10(11,12)13/h8,14H,4-7H2,1-3H3
InChIKeySKPPIVRNAYVJEZ-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8,8,8-trifluoro-3,3-dimethyloctan-4-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

3-(diethylamino)-3-ethyl-8,8,8-trifluorooctan-4-ol
CID 115516163
3,3-dimethylnon-8-yn-4-ol
CID 115831812
8,8,8-trifluorooctane-1,1,1,2-tetrol
CID 150679789
7,7,7-trifluoro-2-(4-fluorophenyl)-2-methylheptan-3-ol
CID 115516102
2,2-dimethylheptane-1,3-diol
CID 57266054
3-ethyl-3,8,8-trimethylnonan-4-ol
CID 156689455
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
3-ethyl-7,7,7-trifluoroheptan-3-ol
CID 86640092
6-ethyl-3,3-dimethyldecan-4-ol
CID 114981382
7,7,7-trifluoro-2-propylheptanoic acid
CID 15512433
3-N,3-N-diethyl-8,8,8-trifluoro-4-N,3-dimethyloctane-3,4-diamine
CID 115517197
boric acid;2,2-dimethylheptane-1,3-diol
CID 159719019

Frequently Asked Questions

What is the IUPAC name of 8,8,8-trifluoro-3,3-dimethyloctan-4-ol?
The IUPAC name of 8,8,8-trifluoro-3,3-dimethyloctan-4-ol (CID 115828379) is 8,8,8-trifluoro-3,3-dimethyloctan-4-ol.
What is the SMILES notation for 8,8,8-trifluoro-3,3-dimethyloctan-4-ol?
The canonical SMILES for 8,8,8-trifluoro-3,3-dimethyloctan-4-ol is CCC(C)(C)C(O)CCCC(F)(F)F.
What is the InChIKey of 8,8,8-trifluoro-3,3-dimethyloctan-4-ol?
The InChIKey is SKPPIVRNAYVJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-4-9(2,3)8(14)6-5-7-10(11,12)13/h8,14H,4-7H2,1-3H3.
What are the key properties of 8,8,8-trifluoro-3,3-dimethyloctan-4-ol?
8,8,8-trifluoro-3,3-dimethyloctan-4-ol has a molecular weight of 212.25 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8,8-trifluoro-3,3-dimethyloctan-4-ol is sourced from PubChem (CID 115828379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).