[2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene

C14H17F3 — CID 166944677

IUPAC[2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene
SMILESC=C(C)C(C)(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H17F3/c1-11(2)13(3,10-14(15,16)17)9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKeyVBLSDECBKJQJCG-UHFFFAOYSA-N
MW242.28 g/mol
LogP4.76
Rot. Bonds4

About [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene

[2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene (PubChem CID 166944677) has the molecular formula C14H17F3 and a molecular weight of 242.28 g/mol. Its IUPAC name is [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene.

Molecular Properties

Compound Name[2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene
PubChem CID166944677
Molecular FormulaC14H17F3
Molecular Weight242.28 g/mol
Exact Mass242.13
IUPAC Name[2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene
SMILESC=C(C)C(C)(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C14H17F3/c1-11(2)13(3,10-14(15,16)17)9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3
InChIKeyVBLSDECBKJQJCG-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-4,4,4-trifluoro-2-methylbutanoyl chloride
CID 146469643
1-[(2S)-2-benzyl-2,3-dimethylbut-3-enyl]-4-ethoxybenzene
CID 142249658
(4,4,4-trifluoro-2-iodo-2-methylbutyl)benzene
CID 139678016
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
(2-fluoro-2-methylpropyl)benzene
CID 14343442
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
(2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene
CID 123284186
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571
2,2-dimethylpropylbenzene;methanol
CID 157125736
4,4,4-trifluoro-2-phenylbutan-2-ol
CID 102471164
3-benzyl-3-methyl-4-methylidenehexanenitrile
CID 139524503

Frequently Asked Questions

What is the IUPAC name of [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene?
The IUPAC name of [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene (CID 166944677) is [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene.
What is the SMILES notation for [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene?
The canonical SMILES for [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene is C=C(C)C(C)(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene?
The InChIKey is VBLSDECBKJQJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3/c1-11(2)13(3,10-14(15,16)17)9-12-7-5-4-6-8-12/h4-8H,1,9-10H2,2-3H3.
What are the key properties of [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene?
[2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene has a molecular weight of 242.28 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dimethyl-2-(2,2,2-trifluoroethyl)but-3-enyl]benzene is sourced from PubChem (CID 166944677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).