4,4,4-trifluoro-2,3-dimethylbut-1-ene

C6H9F3 — CID 91254597

IUPAC4,4,4-trifluoro-2,3-dimethylbut-1-ene
SMILESC=C(C)C(C)C(F)(F)F
InChIInChI=1S/C6H9F3/c1-4(2)5(3)6(7,8)9/h5H,1H2,2-3H3
InChIKeyFLTAGAQXSWOYAZ-UHFFFAOYSA-N
MW138.13 g/mol
LogP2.76
Rot. Bonds1

About 4,4,4-trifluoro-2,3-dimethylbut-1-ene

4,4,4-trifluoro-2,3-dimethylbut-1-ene (PubChem CID 91254597) has the molecular formula C6H9F3 and a molecular weight of 138.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,3-dimethylbut-1-ene.

Molecular Properties

Compound Name4,4,4-trifluoro-2,3-dimethylbut-1-ene
PubChem CID91254597
Molecular FormulaC6H9F3
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name4,4,4-trifluoro-2,3-dimethylbut-1-ene
SMILESC=C(C)C(C)C(F)(F)F
InChIInChI=1S/C6H9F3/c1-4(2)5(3)6(7,8)9/h5H,1H2,2-3H3
InChIKeyFLTAGAQXSWOYAZ-UHFFFAOYSA-N
XLogP2.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 52.76
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

4,4,4-Trifluoro-2-methylbut-1-ene
CID 14985016
2-(Trifluoromethyl)but-1-ene
CID 20793150
3,3-Difluoro-2-methylbut-1-ene
CID 88272296
4,4-Difluoro-2,3-dimethylpent-1-ene
CID 163657845
5,5,5-Trifluoro-2,4-dimethylpent-1-ene
CID 13379970
(E)-1,2-difluoro-3-methylpent-1-ene
CID 13223799
4,4-Difluoro-2-methylbut-1-ene
CID 14092773
3-Methyl-2-(trifluoromethyl)but-1-ene
CID 17896129
(Z)-1,3,3-trifluoro-2-methylbut-1-ene
CID 19788895
(E)-1,1,1-trifluoro-3,4-dimethylpent-2-ene
CID 23384625
(Z)-1,2-difluoro-3-methylbut-1-ene
CID 23384643
(E)-1-fluoro-2,3-dimethylbut-1-ene
CID 23384739

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2,3-dimethylbut-1-ene?
The IUPAC name of 4,4,4-trifluoro-2,3-dimethylbut-1-ene (CID 91254597) is 4,4,4-trifluoro-2,3-dimethylbut-1-ene.
What is the SMILES notation for 4,4,4-trifluoro-2,3-dimethylbut-1-ene?
The canonical SMILES for 4,4,4-trifluoro-2,3-dimethylbut-1-ene is C=C(C)C(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2,3-dimethylbut-1-ene?
The InChIKey is FLTAGAQXSWOYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3/c1-4(2)5(3)6(7,8)9/h5H,1H2,2-3H3.
What are the key properties of 4,4,4-trifluoro-2,3-dimethylbut-1-ene?
4,4,4-trifluoro-2,3-dimethylbut-1-ene has a molecular weight of 138.13 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,3-dimethylbut-1-ene is sourced from PubChem (CID 91254597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).