1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol

C11H14F6O — CID 101358116

IUPAC1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol
SMILESC=C(CC(O)=C(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H14F6O/c1-6(9(2,3)4)5-7(18)8(10(12,13)14)11(15,16)17/h18H,1,5H2,2-4H3
InChIKeyVBPZPJGMODJKDK-UHFFFAOYSA-N
MW276.22 g/mol
LogP4.92
Rot. Bonds2

About 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol

1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol (PubChem CID 101358116) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol
PubChem CID101358116
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol
SMILESC=C(CC(O)=C(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H14F6O/c1-6(9(2,3)4)5-7(18)8(10(12,13)14)11(15,16)17/h18H,1,5H2,2-4H3
InChIKeyVBPZPJGMODJKDK-UHFFFAOYSA-N
XLogP4.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1,1,3,3,3-Hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol
CID 58854821
5-Tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
CID 91173779
(Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
CID 162591478

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol?
The IUPAC name of 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol (CID 101358116) is 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol.
What is the SMILES notation for 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol?
The canonical SMILES for 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol is C=C(CC(O)=C(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol?
The InChIKey is VBPZPJGMODJKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O/c1-6(9(2,3)4)5-7(18)8(10(12,13)14)11(15,16)17/h18H,1,5H2,2-4H3.
What are the key properties of 1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol?
1,1,1-trifluoro-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol has a molecular weight of 276.22 g/mol, XLogP of 4.92, 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-6,6-dimethyl-5-methylidene-2-(trifluoromethyl)hept-2-en-3-ol is sourced from PubChem (CID 101358116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).