1,2,2-trifluoro-3,3-dimethylbutane

C6H11F3 — CID 12634319

IUPAC1,2,2-trifluoro-3,3-dimethylbutane
SMILESCC(C)(C)C(F)(F)CF
InChIInChI=1S/C6H11F3/c1-5(2,3)6(8,9)4-7/h4H2,1-3H3
InChIKeyWATUPMFWTAWLFF-UHFFFAOYSA-N
MW140.15 g/mol
LogP2.64
Rot. Bonds1

About 1,2,2-trifluoro-3,3-dimethylbutane

1,2,2-trifluoro-3,3-dimethylbutane (PubChem CID 12634319) has the molecular formula C6H11F3 and a molecular weight of 140.15 g/mol. Its IUPAC name is 1,2,2-trifluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name1,2,2-trifluoro-3,3-dimethylbutane
PubChem CID12634319
Molecular FormulaC6H11F3
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name1,2,2-trifluoro-3,3-dimethylbutane
SMILESCC(C)(C)C(F)(F)CF
InChIInChI=1S/C6H11F3/c1-5(2,3)6(8,9)4-7/h4H2,1-3H3
InChIKeyWATUPMFWTAWLFF-UHFFFAOYSA-N
XLogP2.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trifluoro-3,3-dimethylbutane?
The IUPAC name of 1,2,2-trifluoro-3,3-dimethylbutane (CID 12634319) is 1,2,2-trifluoro-3,3-dimethylbutane.
What is the SMILES notation for 1,2,2-trifluoro-3,3-dimethylbutane?
The canonical SMILES for 1,2,2-trifluoro-3,3-dimethylbutane is CC(C)(C)C(F)(F)CF.
What is the InChIKey of 1,2,2-trifluoro-3,3-dimethylbutane?
The InChIKey is WATUPMFWTAWLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3/c1-5(2,3)6(8,9)4-7/h4H2,1-3H3.
What are the key properties of 1,2,2-trifluoro-3,3-dimethylbutane?
1,2,2-trifluoro-3,3-dimethylbutane has a molecular weight of 140.15 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trifluoro-3,3-dimethylbutane is sourced from PubChem (CID 12634319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).