1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene

C12H11F3O — CID 137454109

IUPAC1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene
SMILESC=C/C=C(\C)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H11F3O/c1-3-6-9(2)10-7-4-5-8-11(10)16-12(13,14)15/h3-8H,1H2,2H3/b9-6+
InChIKeyLCORNDGYRJDSRE-RMKNXTFCSA-N
MW228.21 g/mol
LogP4.17
Rot. Bonds3

About 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene

1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene (PubChem CID 137454109) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene
PubChem CID137454109
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene
SMILESC=C/C=C(\C)c1ccccc1OC(F)(F)F
InChIInChI=1S/C12H11F3O/c1-3-6-9(2)10-7-4-5-8-11(10)16-12(13,14)15/h3-8H,1H2,2H3/b9-6+
InChIKeyLCORNDGYRJDSRE-RMKNXTFCSA-N
XLogP4.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3E)-hexa-1,3,5-trien-3-yl]-4-methyl-1-(trifluoromethoxy)benzene
CID 143192920
2-(trifluoromethoxy)benzoate
CID 6933714
[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
CID 86295020
N,N-dimethyl-2-(trifluoromethoxy)benzamide
CID 133060382
[2-(trifluoromethoxy)phenyl]boronic acid
CID 2777204
1-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanone
CID 16768650
methane;[2-(trifluoromethoxy)phenyl]boronic acid
CID 158262052
2-(dimethylamino)-1-[2-(trifluoromethoxy)phenyl]ethanone
CID 79018019
1-[(Z)-but-2-en-2-yl]-2-ethenoxybenzene
CID 143337397
cyclopropane;1-[(2E)-penta-2,4-dien-2-yl]-2-prop-1-en-2-ylbenzene;prop-1-ene
CID 142907350
[4,4-Difluoro-3-[2-(trifluoromethoxy)phenyl]but-2-en-2-yl]silyloxy-trimethylsilane
CID 70295926
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene (CID 137454109) is 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene is C=C/C=C(\C)c1ccccc1OC(F)(F)F.
What is the InChIKey of 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene?
The InChIKey is LCORNDGYRJDSRE-RMKNXTFCSA-N. The full InChI is InChI=1S/C12H11F3O/c1-3-6-9(2)10-7-4-5-8-11(10)16-12(13,14)15/h3-8H,1H2,2H3/b9-6+.
What are the key properties of 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene?
1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene has a molecular weight of 228.21 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-penta-2,4-dien-2-yl]-2-(trifluoromethoxy)benzene is sourced from PubChem (CID 137454109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).