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

C13H20F6O — CID 141012193

IUPAC(Z)-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-TWGQIWQCSA-N
MW306.29 g/mol
LogP5.00
Rot. Bonds6

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

(Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol (PubChem CID 141012193) has the molecular formula C13H20F6O and a molecular weight of 306.29 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
PubChem CID141012193
Molecular FormulaC13H20F6O
Molecular Weight306.29 g/mol
Exact Mass306.14
IUPAC Name(Z)-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-TWGQIWQCSA-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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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol?
The IUPAC name of (Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol (CID 141012193) is (Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol.
What is the SMILES notation for (Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol?
The canonical SMILES for (Z)-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 (Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol?
The InChIKey is OVHHIRQJWSLSJG-TWGQIWQCSA-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 (Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol?
(Z)-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 (Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol is sourced from PubChem (CID 141012193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).