(3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene

C11H13F3 — CID 144776103

IUPAC(3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene
SMILESC=C/C=C(C(\C)=C(/C)C=C)/C(F)(F)F
InChIInChI=1S/C11H13F3/c1-5-7-10(11(12,13)14)9(4)8(3)6-2/h5-7H,1-2H2,3-4H3/b9-8+,10-7+
InChIKeyDVQNCLDNPHYUFW-DGLUDJRXSA-N
MW202.22 g/mol
LogP4.18
Rot. Bonds3

About (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene

(3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene (PubChem CID 144776103) has the molecular formula C11H13F3 and a molecular weight of 202.22 g/mol. Its IUPAC name is (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene.

Molecular Properties

Compound Name(3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene
PubChem CID144776103
Molecular FormulaC11H13F3
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name(3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene
SMILESC=C/C=C(C(\C)=C(/C)C=C)/C(F)(F)F
InChIInChI=1S/C11H13F3/c1-5-7-10(11(12,13)14)9(4)8(3)6-2/h5-7H,1-2H2,3-4H3/b9-8+,10-7+
InChIKeyDVQNCLDNPHYUFW-DGLUDJRXSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 54.18
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

(3E)-5-fluoro-6-methyl-4-(trifluoromethyl)hepta-1,3,5-triene
CID 171826400
(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-ol
CID 143407155
(5Z,6E)-5-ethylidene-6-(trifluoromethyl)nona-6,8-dien-3-ol
CID 143267432
(3E)-3,4-dimethylhexa-3,5-dien-2-one
CID 45085191
3,4-dimethylpenta-1,3-diene
CID 6713443
(2Z)-1,1,1-trifluoro-N,N-dimethylpenta-2,4-dien-2-amine
CID 139385369
(3E)-3-methyl-4-(trifluoromethoxy)penta-1,3-diene
CID 143902904
(3E)-3-methylhexa-1,3,5-triene
CID 5367380
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
ethane;(3E)-3-(trifluoromethoxy)hexa-1,3,5-triene
CID 157037906

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene?
The IUPAC name of (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene (CID 144776103) is (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene.
What is the SMILES notation for (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene?
The canonical SMILES for (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene is C=C/C=C(C(\C)=C(/C)C=C)/C(F)(F)F.
What is the InChIKey of (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene?
The InChIKey is DVQNCLDNPHYUFW-DGLUDJRXSA-N. The full InChI is InChI=1S/C11H13F3/c1-5-7-10(11(12,13)14)9(4)8(3)6-2/h5-7H,1-2H2,3-4H3/b9-8+,10-7+.
What are the key properties of (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene?
(3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene has a molecular weight of 202.22 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-3,4-dimethyl-5-(trifluoromethyl)octa-1,3,5,7-tetraene is sourced from PubChem (CID 144776103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).