6,6,6-trifluoro-3-methylhexan-3-ol

C7H13F3O — CID 64565342

IUPAC6,6,6-trifluoro-3-methylhexan-3-ol
SMILESCCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-6(2,11)4-5-7(8,9)10/h11H,3-5H2,1-2H3
InChIKeyOZEMJLCJSGXGSU-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.49
Rot. Bonds3

About 6,6,6-trifluoro-3-methylhexan-3-ol

6,6,6-trifluoro-3-methylhexan-3-ol (PubChem CID 64565342) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 6,6,6-trifluoro-3-methylhexan-3-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-3-methylhexan-3-ol
PubChem CID64565342
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name6,6,6-trifluoro-3-methylhexan-3-ol
SMILESCCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-3-6(2,11)4-5-7(8,9)10/h11H,3-5H2,1-2H3
InChIKeyOZEMJLCJSGXGSU-UHFFFAOYSA-N
XLogP2.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-4-methylheptan-4-ol
CID 80558654
sodium;hydride;3-methylhexan-3-ol
CID 175384887
1-amino-3-methylpentan-3-ol
CID 54320456
1-chloro-3-methylpentan-3-ol
CID 537896
2,2-dimethylbutane;2,2-dimethylpropane;1,1,1-trifluoro-4,4-dimethylpentane
CID 158100302
azane;3-methylpentan-3-ol
CID 87107560
hafnium;3-methylpentan-3-ol
CID 154175223
sodium;hydride;3-methylheptan-3-ol
CID 175497399
3-ethyl-7,7,7-trifluoroheptan-3-ol
CID 86640092
3,5,5-trimethyloctan-3-ol
CID 123781250
(E)-3-methyldec-6-en-3-ol
CID 20571537
6-methoxy-3-methylhexan-3-ol
CID 114851780

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-3-methylhexan-3-ol?
The IUPAC name of 6,6,6-trifluoro-3-methylhexan-3-ol (CID 64565342) is 6,6,6-trifluoro-3-methylhexan-3-ol.
What is the SMILES notation for 6,6,6-trifluoro-3-methylhexan-3-ol?
The canonical SMILES for 6,6,6-trifluoro-3-methylhexan-3-ol is CCC(C)(O)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-3-methylhexan-3-ol?
The InChIKey is OZEMJLCJSGXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-3-6(2,11)4-5-7(8,9)10/h11H,3-5H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-3-methylhexan-3-ol?
6,6,6-trifluoro-3-methylhexan-3-ol has a molecular weight of 170.17 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-3-methylhexan-3-ol is sourced from PubChem (CID 64565342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).