(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene

C10H13F3 — CID 143951906

IUPAC(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(C)/C=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-7(2)5-9(6-8(3)4)10(11,12)13/h5-6H,1H2,2-4H3/b9-5+
InChIKeyHCGDNWRSNPQWMQ-WEVVVXLNSA-N
MW190.21 g/mol
LogP4.02
Rot. Bonds2

About (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene

(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene (PubChem CID 143951906) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
PubChem CID143951906
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Name(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene
SMILESC=C(C)/C=C(\C=C(C)C)C(F)(F)F
InChIInChI=1S/C10H13F3/c1-7(2)5-9(6-8(3)4)10(11,12)13/h5-6H,1H2,2-4H3/b9-5+
InChIKeyHCGDNWRSNPQWMQ-WEVVVXLNSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 54.02
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

2,4-dimethylpenta-1,3-diene;ethane
CID 144511028
2,4-dimethylpenta-1,3-diene;rhodium
CID 175138892
(3E)-2-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-ol
CID 143740716
carbanide;bis(2,4-dimethylpenta-1,3-diene);ruthenium(2+)
CID 162297697
(3E)-4-(difluoromethyl)-2,6-dimethylhepta-1,3,5-triene
CID 88886456
4-fluoro-2-methylpenta-1,3-diene
CID 91548369
but-2-yne;(3E)-2-[(2E)-5-methylhexa-2,4-dien-3-yl]oxy-4-(trifluoromethyl)hexa-1,3,5-triene
CID 142206515
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452
(E)-N-prop-1-en-2-yl-2-(trifluoromethyl)but-2-en-1-imine
CID 142285293
(3E)-5-fluoro-5-methyl-3-(trifluoromethyl)hexa-1,3-diene
CID 162612401
(3Z)-3-methyl-2,5-bis(trifluoromethyl)hexa-1,3,5-triene
CID 143562192
(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dien-1-ol
CID 143577466

Frequently Asked Questions

What is the IUPAC name of (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The IUPAC name of (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene (CID 143951906) is (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene.
What is the SMILES notation for (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The canonical SMILES for (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene is C=C(C)/C=C(\C=C(C)C)C(F)(F)F.
What is the InChIKey of (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene?
The InChIKey is HCGDNWRSNPQWMQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H13F3/c1-7(2)5-9(6-8(3)4)10(11,12)13/h5-6H,1H2,2-4H3/b9-5+.
What are the key properties of (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene?
(3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene has a molecular weight of 190.21 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,6-dimethyl-4-(trifluoromethyl)hepta-1,3,5-triene is sourced from PubChem (CID 143951906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).