3,4,4-trifluorobuta-1,3-dienylbenzene

C10H7F3 — CID 54356019

IUPAC3,4,4-trifluorobuta-1,3-dienylbenzene
SMILESFC(F)=C(F)C=Cc1ccccc1
InChIInChI=1S/C10H7F3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyUJDQAVASRXCZAS-UHFFFAOYSA-N
MW184.16 g/mol
LogP3.78
Rot. Bonds2

About 3,4,4-trifluorobuta-1,3-dienylbenzene

3,4,4-trifluorobuta-1,3-dienylbenzene (PubChem CID 54356019) has the molecular formula C10H7F3 and a molecular weight of 184.16 g/mol. Its IUPAC name is 3,4,4-trifluorobuta-1,3-dienylbenzene.

Molecular Properties

Compound Name3,4,4-trifluorobuta-1,3-dienylbenzene
PubChem CID54356019
Molecular FormulaC10H7F3
Molecular Weight184.16 g/mol
Exact Mass184.05
IUPAC Name3,4,4-trifluorobuta-1,3-dienylbenzene
SMILESFC(F)=C(F)C=Cc1ccccc1
InChIInChI=1S/C10H7F3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7H
InChIKeyUJDQAVASRXCZAS-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 53.78
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

(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
2-fluoroethenylbenzene;silane
CID 158885758
1,4,6-triphenylhexa-1,3,5-trien-3-ylbenzene
CID 54123329
3-phenylprop-2-enoic acid;hydrobromide
CID 172826551
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
CID 70139846
3-phenylprop-2-enoic acid;hydrofluoride
CID 159150390
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
bis((E)-3-phenylprop-2-enoic acid);zinc
CID 11291345

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trifluorobuta-1,3-dienylbenzene?
The IUPAC name of 3,4,4-trifluorobuta-1,3-dienylbenzene (CID 54356019) is 3,4,4-trifluorobuta-1,3-dienylbenzene.
What is the SMILES notation for 3,4,4-trifluorobuta-1,3-dienylbenzene?
The canonical SMILES for 3,4,4-trifluorobuta-1,3-dienylbenzene is FC(F)=C(F)C=Cc1ccccc1.
What is the InChIKey of 3,4,4-trifluorobuta-1,3-dienylbenzene?
The InChIKey is UJDQAVASRXCZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3,4,4-trifluorobuta-1,3-dienylbenzene?
3,4,4-trifluorobuta-1,3-dienylbenzene has a molecular weight of 184.16 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trifluorobuta-1,3-dienylbenzene is sourced from PubChem (CID 54356019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).