(2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene

C7H9F3 — CID 22239089

IUPAC(2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene
SMILESCC(C)=C/C=C/C(F)(F)F
InChIInChI=1S/C7H9F3/c1-6(2)4-3-5-7(8,9)10/h3-5H,1-2H3/b5-3+
InChIKeyDQDKWDLWWZPHND-HWKANZROSA-N
MW150.14 g/mol
LogP3.07
Rot. Bonds1

About (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene

(2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene (PubChem CID 22239089) has the molecular formula C7H9F3 and a molecular weight of 150.14 g/mol. Its IUPAC name is (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene.

Molecular Properties

Compound Name(2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene
PubChem CID22239089
Molecular FormulaC7H9F3
Molecular Weight150.14 g/mol
Exact Mass150.07
IUPAC Name(2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene
SMILESCC(C)=C/C=C/C(F)(F)F
InChIInChI=1S/C7H9F3/c1-6(2)4-3-5-7(8,9)10/h3-5H,1-2H3/b5-3+
InChIKeyDQDKWDLWWZPHND-HWKANZROSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.14
LogP ≤ 53.07
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

CID 23235213
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CID 71376692
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CID 5868326
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CID 14191090
CID 14191090
CID 15191144
CID 15191144
CID 129807581
CID 129807581
CID 3587349
CID 3587349
CID 12584514
CID 12584514
CID 12584515
CID 12584515
CID 12638873
CID 12638873
CID 13680901
CID 13680901
CID 14191089
CID 14191089

Frequently Asked Questions

What is the IUPAC name of (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The IUPAC name of (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene (CID 22239089) is (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene.
What is the SMILES notation for (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The canonical SMILES for (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene is CC(C)=C/C=C/C(F)(F)F.
What is the InChIKey of (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene?
The InChIKey is DQDKWDLWWZPHND-HWKANZROSA-N. The full InChI is InChI=1S/C7H9F3/c1-6(2)4-3-5-7(8,9)10/h3-5H,1-2H3/b5-3+.
What are the key properties of (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene?
(2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene has a molecular weight of 150.14 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1,1,1-trifluoro-5-methylhexa-2,4-diene is sourced from PubChem (CID 22239089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).