3-(trifluoromethyl)hexa-1,3,5-triene

C7H7F3 — CID 72539967

IUPAC3-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=CC=C(C=C)C(F)(F)F
InChIInChI=1S/C7H7F3/c1-3-5-6(4-2)7(8,9)10/h3-5H,1-2H2
InChIKeyYJCDFRYWKULQAL-UHFFFAOYSA-N
MW148.13 g/mol
LogP2.85
Rot. Bonds2

About 3-(trifluoromethyl)hexa-1,3,5-triene

3-(trifluoromethyl)hexa-1,3,5-triene (PubChem CID 72539967) has the molecular formula C7H7F3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name3-(trifluoromethyl)hexa-1,3,5-triene
PubChem CID72539967
Molecular FormulaC7H7F3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name3-(trifluoromethyl)hexa-1,3,5-triene
SMILESC=CC=C(C=C)C(F)(F)F
InChIInChI=1S/C7H7F3/c1-3-5-6(4-2)7(8,9)10/h3-5H,1-2H2
InChIKeyYJCDFRYWKULQAL-UHFFFAOYSA-N
XLogP2.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 52.85
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

1-(Trifluoromethyl)cyclopenta-1,3-diene
CID 21188888
Lithium, [3-(trifluoromethyl)phenyl]-
CID 10909751
Lithium, [4-(trifluoromethyl)phenyl]-
CID 11051849
Lithium 2-(trifluoromethyl)benzen-1-ide
CID 12434981
CID 15580181
CID 15580181
2-(Trifluoromethyl)cyclopenta-1,3-diene
CID 17775240
2-(Trifluoromethyl)buta-1,3-diene
CID 19086401
5,5,5-Trifluoro-4-(trifluoromethyl)penta-1,3-diene
CID 23235213
5-(2,2,2-Trifluoroethylidene)cyclopenta-1,3-diene
CID 85815320
5-(Difluoromethylidene)cyclopenta-1,3-diene
CID 13428390
CID 134866650
CID 134866650
CID 134961618
CID 134961618

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)hexa-1,3,5-triene?
The IUPAC name of 3-(trifluoromethyl)hexa-1,3,5-triene (CID 72539967) is 3-(trifluoromethyl)hexa-1,3,5-triene.
What is the SMILES notation for 3-(trifluoromethyl)hexa-1,3,5-triene?
The canonical SMILES for 3-(trifluoromethyl)hexa-1,3,5-triene is C=CC=C(C=C)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)hexa-1,3,5-triene?
The InChIKey is YJCDFRYWKULQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3/c1-3-5-6(4-2)7(8,9)10/h3-5H,1-2H2.
What are the key properties of 3-(trifluoromethyl)hexa-1,3,5-triene?
3-(trifluoromethyl)hexa-1,3,5-triene has a molecular weight of 148.13 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)hexa-1,3,5-triene is sourced from PubChem (CID 72539967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).