1,1,1-trifluoro-4-methylheptan-4-ol

C8H15F3O — CID 80558654

IUPAC1,1,1-trifluoro-4-methylheptan-4-ol
SMILESCCCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-3-4-7(2,12)5-6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyGYKHWFSZAFZMRO-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.88
Rot. Bonds4

About 1,1,1-trifluoro-4-methylheptan-4-ol

1,1,1-trifluoro-4-methylheptan-4-ol (PubChem CID 80558654) has the molecular formula C8H15F3O and a molecular weight of 184.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methylheptan-4-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methylheptan-4-ol
PubChem CID80558654
Molecular FormulaC8H15F3O
Molecular Weight184.20 g/mol
Exact Mass184.11
IUPAC Name1,1,1-trifluoro-4-methylheptan-4-ol
SMILESCCCC(C)(O)CCC(F)(F)F
InChIInChI=1S/C8H15F3O/c1-3-4-7(2,12)5-6-8(9,10)11/h12H,3-6H2,1-2H3
InChIKeyGYKHWFSZAFZMRO-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.88
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-4-methylheptan-4-ol?
The IUPAC name of 1,1,1-trifluoro-4-methylheptan-4-ol (CID 80558654) is 1,1,1-trifluoro-4-methylheptan-4-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-methylheptan-4-ol?
The canonical SMILES for 1,1,1-trifluoro-4-methylheptan-4-ol is CCCC(C)(O)CCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methylheptan-4-ol?
The InChIKey is GYKHWFSZAFZMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O/c1-3-4-7(2,12)5-6-8(9,10)11/h12H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-4-methylheptan-4-ol?
1,1,1-trifluoro-4-methylheptan-4-ol has a molecular weight of 184.20 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methylheptan-4-ol is sourced from PubChem (CID 80558654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).