(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol

C15H24F6O — CID 141012194

IUPAC(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol
SMILESC/C=C/CCCC(C)(C)CCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6O/c1-4-5-6-7-9-12(2,3)10-8-11-13(22,14(16,17)18)15(19,20)21/h4-5,22H,6-11H2,1-3H3/b5-4+
InChIKeyDGIQCRHDRIAUOZ-SNAWJCMRSA-N
MW334.34 g/mol
LogP5.78
Rot. Bonds8

About (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol

(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol (PubChem CID 141012194) has the molecular formula C15H24F6O and a molecular weight of 334.34 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol
PubChem CID141012194
Molecular FormulaC15H24F6O
Molecular Weight334.34 g/mol
Exact Mass334.17
IUPAC Name(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol
SMILESC/C=C/CCCC(C)(C)CCCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H24F6O/c1-4-5-6-7-9-12(2,3)10-8-11-13(22,14(16,17)18)15(19,20)21/h4-5,22H,6-11H2,1-3H3/b5-4+
InChIKeyDGIQCRHDRIAUOZ-SNAWJCMRSA-N
XLogP5.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol (CID 141012194) is (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol is C/C=C/CCCC(C)(C)CCCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol?
The InChIKey is DGIQCRHDRIAUOZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H24F6O/c1-4-5-6-7-9-12(2,3)10-8-11-13(22,14(16,17)18)15(19,20)21/h4-5,22H,6-11H2,1-3H3/b5-4+.
What are the key properties of (E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol?
(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol has a molecular weight of 334.34 g/mol, XLogP of 5.78, 8 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)dodec-10-en-2-ol is sourced from PubChem (CID 141012194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).