(4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene

C11H15F3 — CID 20817575

IUPAC(4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene
SMILESC=CC/C(=C\CC=C(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-4-6-10(11(12,13)14)8-5-7-9(2)3/h4,7-8H,1,5-6H2,2-3H3/b10-8+
InChIKeyOBARUYMNMOFOIB-CSKARUKUSA-N
MW204.23 g/mol
LogP4.41
Rot. Bonds4

About (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene

(4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene (PubChem CID 20817575) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene.

Molecular Properties

Compound Name(4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene
PubChem CID20817575
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name(4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene
SMILESC=CC/C(=C\CC=C(C)C)C(F)(F)F
InChIInChI=1S/C11H15F3/c1-4-6-10(11(12,13)14)8-5-7-9(2)3/h4,7-8H,1,5-6H2,2-3H3/b10-8+
InChIKeyOBARUYMNMOFOIB-CSKARUKUSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E)-1,1,1-trifluoro-2,6-dimethylhepta-2,5-diene
CID 146756954
2-hydroxy-6-(trifluoromethyl)nona-5,8-dien-3-one
CID 91128939
(2Z)-2-chloro-1,1,1-trifluoro-6-methylhepta-2,5-diene
CID 6442893
(3E)-2-ethoxy-4-(trifluoromethyl)hepta-1,3,6-triene
CID 89119646
(2E)-2-fluoro-6-methylhepta-2,5-diene
CID 143576133
(2E)-2-ethenyl-6-methylhepta-2,5-dienal
CID 5369951
(5E)-4,5-bis(prop-2-enyl)nona-1,5,8-trien-4-amine
CID 118307215
2-iodo-6-methylhepta-2,5-diene
CID 71330256
bis(but-1-ene);tetrakis(2-methylpent-2-ene)
CID 158752842
(2Z)-2-bromo-6-methylhepta-2,5-diene
CID 177405948
(2E)-2-bromo-6-methylhepta-2,5-diene
CID 10899422
hex-1-ene;(4E)-4-methylhexa-1,4-diene;5-methylhexa-1,4-diene
CID 6449801

Frequently Asked Questions

What is the IUPAC name of (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene?
The IUPAC name of (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene (CID 20817575) is (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene.
What is the SMILES notation for (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene?
The canonical SMILES for (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene is C=CC/C(=C\CC=C(C)C)C(F)(F)F.
What is the InChIKey of (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene?
The InChIKey is OBARUYMNMOFOIB-CSKARUKUSA-N. The full InChI is InChI=1S/C11H15F3/c1-4-6-10(11(12,13)14)8-5-7-9(2)3/h4,7-8H,1,5-6H2,2-3H3/b10-8+.
What are the key properties of (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene?
(4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene has a molecular weight of 204.23 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-8-methyl-4-(trifluoromethyl)nona-1,4,7-triene is sourced from PubChem (CID 20817575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).