(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol

C13H20F6O — CID 22451075

IUPAC(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
SMILESCCCCC(C)(C)C/C=C/C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O/c1-4-5-7-10(2,3)8-6-9-11(20,12(14,15)16)13(17,18)19/h6,9,20H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyOVHHIRQJWSLSJG-RMKNXTFCSA-N
MW306.29 g/mol
LogP5.00
Rot. Bonds6

About (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol

(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol (PubChem CID 22451075) has the molecular formula C13H20F6O and a molecular weight of 306.29 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
PubChem CID22451075
Molecular FormulaC13H20F6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
SMILESCCCCC(C)(C)C/C=C/C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H20F6O/c1-4-5-7-10(2,3)8-6-9-11(20,12(14,15)16)13(17,18)19/h6,9,20H,4-5,7-8H2,1-3H3/b9-6+
InChIKeyOVHHIRQJWSLSJG-RMKNXTFCSA-N
XLogP5.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.29
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 91062180
5-Tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol
CID 123179402
6-Tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol
CID 123256435
3,5-Ditert-butyl-1-(trifluoromethyl)cyclohexa-2,5-dien-1-ol
CID 140355642
(Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
CID 141012193
(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
CID 141012781
(E)-4-[2-tert-butyl-3-(2,2-dimethylpropyl)cyclopropyl]-1,1,1-trifluoro-2-(trifluoromethyl)but-3-en-2-ol
CID 148183477
(E)-4,4,5,5,5-pentafluoro-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
CID 10267508
(E)-1,1,1-trifluoro-2-methyldodec-3-en-2-ol
CID 15074586
(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)non-3-en-2-ol
CID 142231665
(Z)-1,1,1-trifluoro-5-(1-methylcyclopropyl)-2-(trifluoromethyl)pent-3-en-2-ol
CID 143026068
1-Tert-butyl-4-(trifluoromethyl)cyclohex-2-en-1-ol
CID 165787505

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol (CID 22451075) is (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol is CCCCC(C)(C)C/C=C/C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol?
The InChIKey is OVHHIRQJWSLSJG-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H20F6O/c1-4-5-7-10(2,3)8-6-9-11(20,12(14,15)16)13(17,18)19/h6,9,20H,4-5,7-8H2,1-3H3/b9-6+.
What are the key properties of (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol?
(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol has a molecular weight of 306.29 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol is sourced from PubChem (CID 22451075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).