3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane

C10H19F3O — CID 90864280

IUPAC3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane
SMILESCCC(OCCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-5-8(10(11,12)13)14-7-6-9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyQWVLZTGEYJFMAM-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.78
Rot. Bonds4

About 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane

3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane (PubChem CID 90864280) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane.

Molecular Properties

Compound Name3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane
PubChem CID90864280
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane
SMILESCCC(OCCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H19F3O/c1-5-8(10(11,12)13)14-7-6-9(2,3)4/h8H,5-7H2,1-4H3
InChIKeyQWVLZTGEYJFMAM-UHFFFAOYSA-N
XLogP3.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane?
The IUPAC name of 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane (CID 90864280) is 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane.
What is the SMILES notation for 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane?
The canonical SMILES for 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane is CCC(OCCC(C)(C)C)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane?
The InChIKey is QWVLZTGEYJFMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-5-8(10(11,12)13)14-7-6-9(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane?
3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane has a molecular weight of 212.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(1,1,1-trifluorobutan-2-yloxy)butane is sourced from PubChem (CID 90864280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).