(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene

C11H15F3 — CID 145087185

IUPAC(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
SMILESC=C(C)/C(=C\C(=C)C(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-7(2)9(5)6-10(8(3)4)11(12,13)14/h6-7H,3,5H2,1-2,4H3/b10-6+
InChIKeyZKXNMAHLUQYVRQ-UXBLZVDNSA-N
MW204.23 g/mol
LogP4.26
Rot. Bonds3

About (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene

(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene (PubChem CID 145087185) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene.

Molecular Properties

Compound Name(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
PubChem CID145087185
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
SMILESC=C(C)/C(=C\C(=C)C(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-7(2)9(5)6-10(8(3)4)11(12,13)14/h6-7H,3,5H2,1-2,4H3/b10-6+
InChIKeyZKXNMAHLUQYVRQ-UXBLZVDNSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.26
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

N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide
CID 143763160
(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
CID 143763167
3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
CID 123321601
3-ethenyl-6-methyl-5-methylidenehepta-1,3-diene
CID 143522614
1-methyl-1-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]hydrazine
CID 170144410
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
(3E)-3-methoxy-2-methyl-5-(trifluoromethyl)hexa-1,3,5-triene
CID 178140699
(NZ)-N-[(3E)-1,1,1-trifluoro-4,5-dimethylhexa-3,5-dien-2-ylidene]hydroxylamine
CID 169488452
(3E)-2-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-3-ol
CID 143740716
N-[(Z)-2,6-dimethyl-5-methylidenehept-3-en-3-yl]ethanimine
CID 130348009
2-methyl-N-[(3E)-5-nitro-4-(trifluoromethyl)hexa-1,3,5-trien-2-yl]propanamide
CID 144863650

Frequently Asked Questions

What is the IUPAC name of (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene?
The IUPAC name of (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene (CID 145087185) is (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene.
What is the SMILES notation for (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene?
The canonical SMILES for (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene is C=C(C)/C(=C\C(=C)C(C)C)C(F)(F)F.
What is the InChIKey of (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene?
The InChIKey is ZKXNMAHLUQYVRQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H15F3/c1-7(2)9(5)6-10(8(3)4)11(12,13)14/h6-7H,3,5H2,1-2,4H3/b10-6+.
What are the key properties of (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene?
(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene has a molecular weight of 204.23 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene is sourced from PubChem (CID 145087185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).