(Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol

C12H18F6O — CID 87065547

IUPAC(Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
SMILESCC(C)C/C=C\CC(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-8(2)6-4-5-7-9(3)10(19,11(13,14)15)12(16,17)18/h4-5,8-9,19H,6-7H2,1-3H3/b5-4-
InChIKeyCYKHLXXJBYCFJR-PLNGDYQASA-N
MW292.26 g/mol
LogP4.47
Rot. Bonds5

About (Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol

(Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol (PubChem CID 87065547) has the molecular formula C12H18F6O and a molecular weight of 292.26 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
PubChem CID87065547
Molecular FormulaC12H18F6O
Molecular Weight292.26 g/mol
Exact Mass292.13
IUPAC Name(Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
SMILESCC(C)C/C=C\CC(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H18F6O/c1-8(2)6-4-5-7-9(3)10(19,11(13,14)15)12(16,17)18/h4-5,8-9,19H,6-7H2,1-3H3/b5-4-
InChIKeyCYKHLXXJBYCFJR-PLNGDYQASA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.47
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-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol?
The IUPAC name of (Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol (CID 87065547) is (Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol.
What is the SMILES notation for (Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol?
The canonical SMILES for (Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol is CC(C)C/C=C\CC(C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol?
The InChIKey is CYKHLXXJBYCFJR-PLNGDYQASA-N. The full InChI is InChI=1S/C12H18F6O/c1-8(2)6-4-5-7-9(3)10(19,11(13,14)15)12(16,17)18/h4-5,8-9,19H,6-7H2,1-3H3/b5-4-.
What are the key properties of (Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol?
(Z)-1,1,1-trifluoro-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol has a molecular weight of 292.26 g/mol, XLogP of 4.47, 5 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-3,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol is sourced from PubChem (CID 87065547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).