3,3-dimethyl-2-(trifluoromethyl)but-1-ene

C7H11F3 — CID 155223144

IUPAC3,3-dimethyl-2-(trifluoromethyl)but-1-ene
SMILESC=C(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-5(6(2,3)4)7(8,9)10/h1H2,2-4H3
InChIKeyLYBQFPCDZGVDKO-UHFFFAOYSA-N
MW152.16 g/mol
LogP3.15
Rot. Bonds

About 3,3-dimethyl-2-(trifluoromethyl)but-1-ene

3,3-dimethyl-2-(trifluoromethyl)but-1-ene (PubChem CID 155223144) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 3,3-dimethyl-2-(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name3,3-dimethyl-2-(trifluoromethyl)but-1-ene
PubChem CID155223144
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name3,3-dimethyl-2-(trifluoromethyl)but-1-ene
SMILESC=C(C(C)(C)C)C(F)(F)F
InChIInChI=1S/C7H11F3/c1-5(6(2,3)4)7(8,9)10/h1H2,2-4H3
InChIKeyLYBQFPCDZGVDKO-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.15
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

4,4-Difluoro-4-iodo-2,3,3-trimethylbut-1-ene
CID 71411670
1,1,2-Trifluoro-4,4-dimethylpent-1-ene
CID 20511542
4-Fluoro-3,3-bis(fluoromethyl)-2-(trifluoromethyl)but-1-ene
CID 22283743
1,1-Difluoro-2,3,3-trimethylbut-1-ene
CID 23168874
1,1-Difluoro-4,4-dimethylpent-1-ene
CID 89198692
1,1,1-Trifluoro-2,2-dimethyl-3-methylidenepentane
CID 90715892
(Z)-1-fluoro-2,3,3-trimethylbut-1-ene
CID 129288761
2-(Difluoromethyl)-3,3-dimethylbut-1-ene
CID 134287789
4,4,4-Trifluoro-2,3,3-trimethylbut-1-ene
CID 137539214
1,1-Difluoro-3,3-dimethylpent-1-ene
CID 138631209
4,4-Difluoro-3-methylpenta-1,2-diene
CID 143721799
(1,1-Difluoro-3,3-dimethyl-2-methylidenebutyl)phosphane
CID 155223145

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(trifluoromethyl)but-1-ene?
The IUPAC name of 3,3-dimethyl-2-(trifluoromethyl)but-1-ene (CID 155223144) is 3,3-dimethyl-2-(trifluoromethyl)but-1-ene.
What is the SMILES notation for 3,3-dimethyl-2-(trifluoromethyl)but-1-ene?
The canonical SMILES for 3,3-dimethyl-2-(trifluoromethyl)but-1-ene is C=C(C(C)(C)C)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-2-(trifluoromethyl)but-1-ene?
The InChIKey is LYBQFPCDZGVDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-5(6(2,3)4)7(8,9)10/h1H2,2-4H3.
What are the key properties of 3,3-dimethyl-2-(trifluoromethyl)but-1-ene?
3,3-dimethyl-2-(trifluoromethyl)but-1-ene has a molecular weight of 152.16 g/mol, XLogP of 3.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(trifluoromethyl)but-1-ene is sourced from PubChem (CID 155223144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).