2-methyl-2-(trifluoromethyl)hex-5-en-1-ol

C8H13F3O — CID 59378110

IUPAC2-methyl-2-(trifluoromethyl)hex-5-en-1-ol
SMILESC=CCCC(C)(CO)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-3-4-5-7(2,6-12)8(9,10)11/h3,12H,1,4-6H2,2H3
InChIKeyDKWTUJSRQXSROM-UHFFFAOYSA-N
MW182.18 g/mol
LogP2.51
Rot. Bonds4

About 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol

2-methyl-2-(trifluoromethyl)hex-5-en-1-ol (PubChem CID 59378110) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)hex-5-en-1-ol
PubChem CID59378110
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name2-methyl-2-(trifluoromethyl)hex-5-en-1-ol
SMILESC=CCCC(C)(CO)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-3-4-5-7(2,6-12)8(9,10)11/h3,12H,1,4-6H2,2H3
InChIKeyDKWTUJSRQXSROM-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol?
The IUPAC name of 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol (CID 59378110) is 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol is C=CCCC(C)(CO)C(F)(F)F.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol?
The InChIKey is DKWTUJSRQXSROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3O/c1-3-4-5-7(2,6-12)8(9,10)11/h3,12H,1,4-6H2,2H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol?
2-methyl-2-(trifluoromethyl)hex-5-en-1-ol has a molecular weight of 182.18 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)hex-5-en-1-ol is sourced from PubChem (CID 59378110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).