(3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene

C12H17F3 — CID 145113868

IUPAC(3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene
SMILESCC/C=C/C=C(\C=C(/C)CC)C(F)(F)F
InChIInChI=1S/C12H17F3/c1-4-6-7-8-11(12(13,14)15)9-10(3)5-2/h6-9H,4-5H2,1-3H3/b7-6+,10-9+,11-8+
InChIKeyCZWTXGWRBNXIDB-QXMRGVDISA-N
MW218.26 g/mol
LogP4.80
Rot. Bonds4

About (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene

(3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene (PubChem CID 145113868) has the molecular formula C12H17F3 and a molecular weight of 218.26 g/mol. Its IUPAC name is (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene.

Molecular Properties

Compound Name(3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene
PubChem CID145113868
Molecular FormulaC12H17F3
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name(3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene
SMILESCC/C=C/C=C(\C=C(/C)CC)C(F)(F)F
InChIInChI=1S/C12H17F3/c1-4-6-7-8-11(12(13,14)15)9-10(3)5-2/h6-9H,4-5H2,1-3H3/b7-6+,10-9+,11-8+
InChIKeyCZWTXGWRBNXIDB-QXMRGVDISA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 54.80
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

(2E,4E)-2-[(E)-2-methylbut-1-enyl]hepta-2,4-dienenitrile
CID 167485877
(2Z,4E,6E)-4-(1,1,2-trifluoroethyl)nona-2,4,6-triene
CID 129041542
(2E,4E)-2-methylhepta-2,4-dien-1-ol
CID 173250100
[(2E,4Z)-3-(trifluoromethyl)hepta-2,4-dienyl]boronic acid
CID 162618408
(2E,4Z)-3-tert-butyl-5-methylhepta-2,4-diene
CID 177352522
(2E,4Z)-2-methylhepta-2,4-diene-1-thiol
CID 145391343
ethane;(2E,4Z)-hepta-2,4-dien-2-ol
CID 142115176
(Z)-6-fluoro-3,6-dimethyl-5-methylidenehept-3-ene
CID 142164925
(3Z)-2,4-dimethylhexa-1,3-diene;ethane
CID 145177084
(2Z,4Z)-N-methylhepta-2,4-dien-2-amine
CID 89431682
(3E)-5-ethyl-6-methyl-3-(trifluoromethyl)hepta-1,3,5-triene
CID 163624463
(3E,5Z)-8,8,8-trifluoro-3-(trifluoromethyl)octa-1,3,5-triene
CID 134504364

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene?
The IUPAC name of (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene (CID 145113868) is (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene.
What is the SMILES notation for (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene?
The canonical SMILES for (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene is CC/C=C/C=C(\C=C(/C)CC)C(F)(F)F.
What is the InChIKey of (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene?
The InChIKey is CZWTXGWRBNXIDB-QXMRGVDISA-N. The full InChI is InChI=1S/C12H17F3/c1-4-6-7-8-11(12(13,14)15)9-10(3)5-2/h6-9H,4-5H2,1-3H3/b7-6+,10-9+,11-8+.
What are the key properties of (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene?
(3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene has a molecular weight of 218.26 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E)-3-methyl-5-(trifluoromethyl)deca-3,5,7-triene is sourced from PubChem (CID 145113868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).