(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene

C11H15F3 — CID 129041542

IUPAC(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene
SMILESC/C=C\C(=C/C=C/CC)C(F)(F)CF
InChIInChI=1S/C11H15F3/c1-3-5-6-8-10(7-4-2)11(13,14)9-12/h4-8H,3,9H2,1-2H3/b6-5+,7-4-,10-8+
InChIKeyINOYPCGXTJHKAQ-VBIDDDQESA-N
MW204.23 g/mol
LogP4.06
Rot. Bonds5

About (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene

(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene (PubChem CID 129041542) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene.

Molecular Properties

Compound Name(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene
PubChem CID129041542
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene
SMILESC/C=C\C(=C/C=C/CC)C(F)(F)CF
InChIInChI=1S/C11H15F3/c1-3-5-6-8-10(7-4-2)11(13,14)9-12/h4-8H,3,9H2,1-2H3/b6-5+,7-4-,10-8+
InChIKeyINOYPCGXTJHKAQ-VBIDDDQESA-N
XLogP4.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.06
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

(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
(3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene
CID 145113868
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
CID 135298694
ethane;(2Z,4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)deca-2,4,7-triene
CID 143322922
acetamide;(4E,6E)-4-[(Z)-prop-1-enyl]nona-4,6-dien-3-one
CID 143358490
ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
(3E,5Z)-3-[(Z)-2-methylidenepent-3-enoxy]octa-3,5-diene
CID 143012341
2-prop-1-enyltetradeca-2,4,7,9,11-pentaenamide
CID 140757697
(5E)-octa-3,5-diene
CID 173104147
8-fluoro-7,7-dimethyloct-3-ene
CID 174848410
1-[(Z,3E)-3-ethylidene-2-methylhept-4-en-2-yl]-4-[(Z,3E)-3-ethylidene-2-methylhex-4-en-2-yl]benzene
CID 143035860
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene?
The IUPAC name of (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene (CID 129041542) is (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene.
What is the SMILES notation for (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene?
The canonical SMILES for (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene is C/C=C\C(=C/C=C/CC)C(F)(F)CF.
What is the InChIKey of (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene?
The InChIKey is INOYPCGXTJHKAQ-VBIDDDQESA-N. The full InChI is InChI=1S/C11H15F3/c1-3-5-6-8-10(7-4-2)11(13,14)9-12/h4-8H,3,9H2,1-2H3/b6-5+,7-4-,10-8+.
What are the key properties of (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene?
(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene has a molecular weight of 204.23 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene is sourced from PubChem (CID 129041542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).