(2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene

C15H22F6 — CID 88556055

IUPAC(2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene
SMILESC/C=C(C)\C=C/C(C)CC(CC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H22F6/c1-5-10(2)6-7-11(3)8-13(15(19,20)21)9-12(4)14(16,17)18/h5-7,11-13H,8-9H2,1-4H3/b7-6-,10-5-
InChIKeyAACRIOJDXFMNHB-BHHIIOOYSA-N
MW316.33 g/mol
LogP6.30
Rot. Bonds6

About (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene

(2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene (PubChem CID 88556055) has the molecular formula C15H22F6 and a molecular weight of 316.33 g/mol. Its IUPAC name is (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene
PubChem CID88556055
Molecular FormulaC15H22F6
Molecular Weight316.33 g/mol
Exact Mass316.16
IUPAC Name(2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene
SMILESC/C=C(C)\C=C/C(C)CC(CC(C)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H22F6/c1-5-10(2)6-7-11(3)8-13(15(19,20)21)9-12(4)14(16,17)18/h5-7,11-13H,8-9H2,1-4H3/b7-6-,10-5-
InChIKeyAACRIOJDXFMNHB-BHHIIOOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 11830656
CID 11830656
CID 21599893
CID 21599893
CID 101032788
CID 101032788
CID 11063664
CID 11063664
CID 162897035
CID 162897035
CID 101488936
CID 101488936
CID 134964338
CID 134964338
CID 134981984
CID 134981984
CID 162401663
CID 162401663
CID 162623291
CID 162623291
CID 164674098
CID 164674098
CID 12453823
CID 12453823

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene?
The IUPAC name of (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene (CID 88556055) is (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene.
What is the SMILES notation for (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene?
The canonical SMILES for (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene is C/C=C(C)\C=C/C(C)CC(CC(C)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene?
The InChIKey is AACRIOJDXFMNHB-BHHIIOOYSA-N. The full InChI is InChI=1S/C15H22F6/c1-5-10(2)6-7-11(3)8-13(15(19,20)21)9-12(4)14(16,17)18/h5-7,11-13H,8-9H2,1-4H3/b7-6-,10-5-.
What are the key properties of (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene?
(2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene has a molecular weight of 316.33 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-11,11,11-trifluoro-3,6,10-trimethyl-8-(trifluoromethyl)undeca-2,4-diene is sourced from PubChem (CID 88556055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).