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

C6H11F3 — CID 12603388

IUPAC1,1,1-trifluoro-3,3-dimethylbutane
SMILESCC(C)(C)CC(F)(F)F
InChIInChI=1S/C6H11F3/c1-5(2,3)4-6(7,8)9/h4H2,1-3H3
InChIKeyGQOKUXSBHMWWGX-UHFFFAOYSA-N
MW140.15 g/mol
LogP2.98
Rot. Bonds

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

1,1,1-trifluoro-3,3-dimethylbutane (PubChem CID 12603388) has the molecular formula C6H11F3 and a molecular weight of 140.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-3,3-dimethylbutane.

Molecular Properties

Compound Name1,1,1-trifluoro-3,3-dimethylbutane
PubChem CID12603388
Molecular FormulaC6H11F3
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name1,1,1-trifluoro-3,3-dimethylbutane
SMILESCC(C)(C)CC(F)(F)F
InChIInChI=1S/C6H11F3/c1-5(2,3)4-6(7,8)9/h4H2,1-3H3
InChIKeyGQOKUXSBHMWWGX-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3,3-dimethylbutane?
The IUPAC name of 1,1,1-trifluoro-3,3-dimethylbutane (CID 12603388) is 1,1,1-trifluoro-3,3-dimethylbutane.
What is the SMILES notation for 1,1,1-trifluoro-3,3-dimethylbutane?
The canonical SMILES for 1,1,1-trifluoro-3,3-dimethylbutane is CC(C)(C)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3,3-dimethylbutane?
The InChIKey is GQOKUXSBHMWWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3/c1-5(2,3)4-6(7,8)9/h4H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3,3-dimethylbutane?
1,1,1-trifluoro-3,3-dimethylbutane has a molecular weight of 140.15 g/mol, XLogP of 2.98, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3,3-dimethylbutane is sourced from PubChem (CID 12603388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).