[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene

C12H11F3 — CID 102489190

IUPAC[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene
SMILESC=C(/C=C/c1ccccc1)CC(F)(F)F
InChIInChI=1S/C12H11F3/c1-10(9-12(13,14)15)7-8-11-5-3-2-4-6-11/h2-8H,1,9H2/b8-7+
InChIKeyRWKRAJGTBIONDX-BQYQJAHWSA-N
MW212.21 g/mol
LogP4.21
Rot. Bonds3

About [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene

[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene (PubChem CID 102489190) has the molecular formula C12H11F3 and a molecular weight of 212.21 g/mol. Its IUPAC name is [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene.

Molecular Properties

Compound Name[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene
PubChem CID102489190
Molecular FormulaC12H11F3
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene
SMILESC=C(/C=C/c1ccccc1)CC(F)(F)F
InChIInChI=1S/C12H11F3/c1-10(9-12(13,14)15)7-8-11-5-3-2-4-6-11/h2-8H,1,9H2/b8-7+
InChIKeyRWKRAJGTBIONDX-BQYQJAHWSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 54.21
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

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CID 91462771
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CID 90998971
dimethyl-[(E)-2-methylidene-4-phenylbut-3-enyl]-propan-2-yloxysilane
CID 10515523
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
(2E,4E)-5-phenyl-3-(trifluoromethyl)penta-2,4-dien-1-ol
CID 10868043
3-phenyl-N-(2,2,2-trifluoroacetyl)prop-2-enamide
CID 57300906
1-[(1E)-3-benzylbuta-1,3-dienyl]-4-methylbenzene
CID 102460258
3,4,4-trifluorobuta-1,3-dienylbenzene
CID 54356019
azane;2-methylidene-4-phenylbut-3-enoic acid
CID 173161880
1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
CID 122231581
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289

Frequently Asked Questions

What is the IUPAC name of [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene?
The IUPAC name of [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene (CID 102489190) is [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene.
What is the SMILES notation for [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene?
The canonical SMILES for [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene is C=C(/C=C/c1ccccc1)CC(F)(F)F.
What is the InChIKey of [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene?
The InChIKey is RWKRAJGTBIONDX-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H11F3/c1-10(9-12(13,14)15)7-8-11-5-3-2-4-6-11/h2-8H,1,9H2/b8-7+.
What are the key properties of [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene?
[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene has a molecular weight of 212.21 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene is sourced from PubChem (CID 102489190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).