1,1,1-trifluoro-5,5-dimethylhexan-2-ol

C8H15F3O — CID 62962057

IUPAC1,1,1-trifluoro-5,5-dimethylhexan-2-ol
SMILESCC(C)(C)CCC(O)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-7(2,3)5-4-6(12)8(9,10)11/h6,12H,4-5H2,1-3H3
InChIKeyXQVKKXBBBNBRGM-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.74
Rot. Bonds2

About 1,1,1-trifluoro-5,5-dimethylhexan-2-ol

1,1,1-trifluoro-5,5-dimethylhexan-2-ol (PubChem CID 62962057) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-5,5-dimethylhexan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-5,5-dimethylhexan-2-ol
PubChem CID62962057
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name1,1,1-trifluoro-5,5-dimethylhexan-2-ol
SMILESCC(C)(C)CCC(O)C(F)(F)F
InChIInChI=1S/C8H15F3O/c1-7(2,3)5-4-6(12)8(9,10)11/h6,12H,4-5H2,1-3H3
InChIKeyXQVKKXBBBNBRGM-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5,5-dimethylhexan-2-ol?
The IUPAC name of 1,1,1-trifluoro-5,5-dimethylhexan-2-ol (CID 62962057) is 1,1,1-trifluoro-5,5-dimethylhexan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-5,5-dimethylhexan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-5,5-dimethylhexan-2-ol is CC(C)(C)CCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5,5-dimethylhexan-2-ol?
The InChIKey is XQVKKXBBBNBRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-7(2,3)5-4-6(12)8(9,10)11/h6,12H,4-5H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-5,5-dimethylhexan-2-ol?
1,1,1-trifluoro-5,5-dimethylhexan-2-ol has a molecular weight of 184.20 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5,5-dimethylhexan-2-ol is sourced from PubChem (CID 62962057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).