(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol

C15H22F6O — CID 141012781

IUPAC(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
SMILESC/C=C/CCCC(C)(C)C/C=C\C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H22F6O/c1-4-5-6-7-9-12(2,3)10-8-11-13(22,14(16,17)18)15(19,20)21/h4-5,8,11,22H,6-7,9-10H2,1-3H3/b5-4+,11-8-
InChIKeyZGEGPISUHHCIPA-LSHNQJRFSA-N
MW332.33 g/mol
LogP5.56
Rot. Bonds7

About (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol

(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol (PubChem CID 141012781) has the molecular formula C15H22F6O and a molecular weight of 332.33 g/mol. Its IUPAC name is (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol.

Molecular Properties

Compound Name(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
PubChem CID141012781
Molecular FormulaC15H22F6O
Molecular Weight332.33 g/mol
Exact Mass332.16
IUPAC Name(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
SMILESC/C=C/CCCC(C)(C)C/C=C\C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H22F6O/c1-4-5-6-7-9-12(2,3)10-8-11-13(22,14(16,17)18)15(19,20)21/h4-5,8,11,22H,6-7,9-10H2,1-3H3/b5-4+,11-8-
InChIKeyZGEGPISUHHCIPA-LSHNQJRFSA-N
XLogP5.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.33
LogP ≤ 55.56
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'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol?
The IUPAC name of (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol (CID 141012781) is (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol.
What is the SMILES notation for (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol?
The canonical SMILES for (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol is C/C=C/CCCC(C)(C)C/C=C\C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol?
The InChIKey is ZGEGPISUHHCIPA-LSHNQJRFSA-N. The full InChI is InChI=1S/C15H22F6O/c1-4-5-6-7-9-12(2,3)10-8-11-13(22,14(16,17)18)15(19,20)21/h4-5,8,11,22H,6-7,9-10H2,1-3H3/b5-4+,11-8-.
What are the key properties of (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol?
(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol has a molecular weight of 332.33 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol is sourced from PubChem (CID 141012781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).